This report was generated on 08-Jul-2011 14:09:41.
* = already updated
Compounds
6 Compounds have structures in PlantCyc but not in MaizeCyc.
ID Name Slot MaizeCyc Value PlantCyc Value
DICARBOXYLIC-ACID-MONOAMIDES a monoamide of a dicarboxylate ATOM-CHARGES NIL (5 -1)
DISPLAY-COORDS-2D NIL ((3559 751) (2842 1164) (4273 1164) (2128 751) (4988 751) (4273 1988) (2842 1989))
STRUCTURE-BONDS NIL ((3 5 1) (2 4 2) (6 3 2) (2 7 1) (1 3 1) (1 2 1))
STRUCTURE-ATOMS NIL (C C C O O O N)
Secondary-Alcohols a secondary alcohol DISPLAY-COORDS-2D NIL ((-19446 -9723) (-10239 -9723) (-737 -9723) (-10239 -17973))
STRUCTURE-BONDS NIL ((1 2 1) (2 3 1) (2 4 1))
STRUCTURE-ATOMS NIL (R1 C R2 O)
Alkanes an alkane DISPLAY-COORDS-2D NIL ((-4508 -1738) (-3794 -2151) (-3079 -1738) (-2365 -2151))
STRUCTURE-BONDS NIL ((1 2 1) (2 3 1) (3 4 1))
STRUCTURE-ATOMS NIL (C C C R)
Aryl-Amines an arylamine DISPLAY-COORDS-2D NIL ((3415 61951) (-39512 -28780) (-39512 99024) (3415 488) (-39512 -100000) (-100000 5366) (-100000 60976))
STRUCTURE-BONDS NIL ((7 6 1) (6 2 2) (4 1 2) (3 7 2) (2 5 1) (2 4 1) (1 3 1))
STRUCTURE-ATOMS NIL (C C C C N C C)
Cyclodextrins a cyclodextrin DISPLAY-COORDS-2D NIL ((59202 16500) (55077 23644) (55105 9275) (67452 16500) (46827 23644) (59202 30790) (46800 9275) (55136 1025) (67452 8250) (42702 16500) (55077 37934) (43948 1534) (74597 4125) (60227 4153) (34452 16500) (74597 -4125) (81742 8250) (60227 -4153) (34452 8250) (67452 -8250) (81742 -8250) (52486 -7004) (41597 4125) (27308 4125) (67452 -16500) (51085 -15135) (41597 -4125) (49349 6947) (27308 -4125) (19058 4125) (59202 -16500) (34452 -8250) (52171 14699) (23182 -11270) (55105 -9275) (55077 -23644) (34452 -16500) (46800 -9275) (63235 -7874) (46827 -23644) (42702 -16500) (39058 -12127) (42702 -30790) (46827 -37934) (64225 20781) (59883 25394) (60220 9295) (63121 34077) (63121 27501) (42379 11849) (50022 1006) (63032 10825) (39447 22241) (57634 42364) (38907 665) (79027 1568) (76346 -8931) (81742 13365) (59359 -9194) (28736 11550) (71734 -13273) (86171 -5692) (47371 -7024) (51578 -1970) (39040 8555) (24750 8554) (54387 -19040) (54430 6353) (49943 1866) (22192 -4125) (16500 8554) (61777 -12080) (28736 -11550) (48884 18618) (18067 -11270) (56013 -4241) (46780 -4160) (65809 -3454) (41712 -23644) (48418 -19800) (38190 -17168) (38784 -34077) (38784 -27501) (44269 -42364))
STRUCTURE-BONDS NIL ((1 2 1) (1 3 1) (1 4 1) (2 5 1) (2 6 1 :UP) (3 7 1) (3 8 1 :UP) (4 9 1) (5 10 1) (6 11 1) (7 12 1 :DOWN) (9 13 1) (9 14 1) (10 15 1) (13 16 1) (13 17 1 :UP) (14 18 1) (15 19 1) (16 20 1) (16 21 1 :DOWN) (18 22 1 :DOWN) (19 23 1) (19 24 1) (20 25 1) (22 26 1) (23 27 1) (23 28 1 :DOWN) (24 29 1) (24 30 1 :DOWN) (25 31 1) (27 32 1) (28 33 1) (29 34 1 :UP) (31 35 1) (31 36 1) (32 37 1) (35 38 1) (35 39 1 :DOWN) (36 40 1) (37 41 1) (38 42 1 :UP) (40 43 1 :UP) (43 44 1) (7 10 1) (18 20 1) (29 32 1) (38 41 1) (40 41 1) (1 45 1 :UP) (2 46 1) (3 47 1) (6 48 1) (6 49 1) (7 50 1) (8 51 1) (9 52 1) (10 53 1 :UP) (11 54 1) (12 55 1) (13 56 1) (16 57 1) (17 58 1) (18 59 1) (19 60 1 :DOWN) (20 61 1 :DOWN) (21 62 1) (22 63 1) (22 64 1) (23 65 1) (24 66 1) (26 67 1) (28 68 1) (28 69 1) (29 70 1) (30 71 1) (31 72 1) (32 73 1 :DOWN) (33 74 1) (34 75 1) (35 76 1) (38 77 1) (39 78 1) (40 79 1) (41 80 1 :UP) (42 81 1) (43 82 1) (43 83 1) (44 84 1))
STRUCTURE-ATOMS NIL (C C C O O C C O C C O O C O O C O C C C O C C C O O O C C O C C O O C O O C O C C O C O H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H)
Rubbers rubber DISPLAY-COORDS-2D NIL ((140170 -20626) (111591 -20626) (83013 -20625) (54434 -20625) (133026 -8251) (104447 -8251) (75868 -8250) (125881 -12376) (97302 -12376) (68723 -12375) (147315 -8251) (118736 -8251) (90158 -8251) (61579 -8250) (140170 -12376) (111592 -12376) (83013 -12375) (54434 -12375) (47290 -8250) (47290 0) (41456 5834) (16706 14083) (33080 14082) (8456 5833) (16706 -2417) (33143 -2416) (24956 5833) (16706 5833) (33206 5833))
STRUCTURE-BONDS NIL ((27 29 1) (27 28 1) (26 29 1) (25 28 1) (24 28 1) (23 29 2) (22 28 2) (21 29 1) (20 21 1) (19 20 1) (14 18 1) (13 17 1) (12 16 1) (11 15 1) (10 14 1) (9 13 1) (8 12 1) (19 18 2) (7 17 2) (7 10 1) (6 16 2) (6 9 1) (5 15 2) (5 8 1) (4 18 1) (3 17 1) (2 16 1) (1 15 1))
STRUCTURE-ATOMS NIL (C C C C C C C C C C C C C C C C C C C C O O O O O O O P P)
30 Compounds have structures in MaizeCyc but not in PlantCyc.
ID Name Slot MaizeCyc Value PlantCyc Value
Alkyl-Hydro-Peroxides an organic hydroperoxide DISPLAY-COORDS-2D ((1429 0) (0 0) (714 -412)) NIL
STRUCTURE-BONDS ((2 3 1) (1 3 1)) NIL
STRUCTURE-ATOMS (O R O) NIL
Orthophosphoric-Monoesters a phosphate monoester ATOM-CHARGES ((4 -1) (2 -1)) NIL
DISPLAY-COORDS-2D ((-8250 -1385) (-8250 -560) (-7425 -1385) (-9075 -1385) (-6842 -802) (-8250 -2210)) NIL
STRUCTURE-BONDS ((1 2 1) (1 3 1) (1 4 1) (3 5 1) (1 6 2)) NIL
STRUCTURE-ATOMS (P O O O R O) NIL
2-Oxo-carboxylates a 2-oxo carboxylate DISPLAY-COORDS-2D ((0 0) (0 -825) (714 412) (-714 412) (-714 1238) (-1429 0)) NIL
STRUCTURE-BONDS ((1 2 2) (1 3 1) (1 4 1) (4 5 2) (4 6 1)) NIL
STRUCTURE-ATOMS (C O O C O R1) NIL
2R-hydroxy-carboxylates a (2R)-hydroxy-carboxylate DISPLAY-COORDS-2D ((-790 -15710) (76210 -63640) (1520 64040) (-76950 -68750) (-142890 0) (-76950 -151250)) NIL
STRUCTURE-BONDS ((1 2 2) (1 3 1) (1 4 1) (4 5 1) (4 6 1 :UP)) NIL
STRUCTURE-ATOMS (C O O C R1 O) NIL
Donor-H2 a reduced electron acceptor DISPLAY-COORDS-2D ((-4443 -398) (-4973 -1186) (-3897 -1178)) NIL
STRUCTURE-BONDS ((1 2 1) (1 3 1)) NIL
STRUCTURE-ATOMS (|Acceptor| H H) NIL
Menaquinones a menaquinone DISPLAY-COORDS-2D ((18051 -3300) (19480 -825) (20908 0) (20908 -3300) (18765 -2062) (23052 -1238) (23052 -2062) (22338 -825) (22338 -2475) (16622 -2475) (19480 -2475) (17336 -2062) (18051 -2475) (20194 -1238) (20194 -2062) (20908 -825) (20908 -2475) (21623 -1238) (21623 -2062)) NIL
STRUCTURE-BONDS ((1 13 1) (2 14 1) (3 16 2) (4 17 2) (5 11 1) (5 13 2) (7 6 2) (6 8 1) (9 7 1) (8 18 2) (19 9 2) (10 12 1) (11 15 1) (12 13 1) (14 15 2) (14 16 1) (15 17 1) (16 18 1) (17 19 1) (18 19 1)) NIL
STRUCTURE-ATOMS (C C O O C C C C C R C C C C C C C C C) NIL
Menaquinols a menaquinol DISPLAY-COORDS-2D ((4888 -33006) (19180 -8252) (33473 0) (33473 -33006) (12039 -20624) (54907 -12382) (54907 -20624) (47766 -8252) (47766 -24755) (-9405 -24755) (19180 -24755) (-2264 -20624) (4888 -24755) (26322 -12382) (26322 -20624) (40615 -12382) (40615 -20624) (33473 -8252) (33473 -24755)) NIL
STRUCTURE-BONDS ((17 19 1) (16 18 1) (17 16 1) (15 19 2) (14 18 2) (14 15 1) (12 13 1) (11 15 1) (10 12 1) (9 17 2) (16 8 2) (7 9 1) (8 6 1) (6 7 2) (5 13 2) (5 11 1) (4 19 1) (3 18 1) (2 14 1) (1 13 1)) NIL
STRUCTURE-ATOMS (C C O O C C C C C R C C C C C C C C C) NIL
Flavonol-3-O-B-D-Glucosides a flavonol-3-O-β-D-glucoside DISPLAY-COORDS-2D ((-278630 -245000) (-349820 -203320) (-349320 -120820) (-277620 -80000) (-206430 -121680) (-206930 -204180) (-135730 -245870) (-134730 -80870) (-134730 1630) (-64040 -205050) (7410 -246300) (78850 -370050) (7410 -328800) (78850 -205050) (150300 -246300) (150300 -328800) (-63540 -122550) (7910 -81300) (79360 -40050) (150800 -81300) (79360 42450) (7910 83700) (150800 83700) (150800 166200) (222250 42450) (293700 83700) (222250 -40050) (365140 -40050) (293700 -81300) (78850 -452550) (221750 -370050) (221750 -205050) (-277620 2500) (-421270 -244570)) NIL
STRUCTURE-BONDS ((1 2 2) (1 6 1) (2 3 1) (3 4 2) (4 5 1) (5 8 1) (6 5 2) (7 6 1) (7 10 1) (8 17 1) (17 10 2) (8 9 2) (10 11 1) (13 11 2) (11 14 1) (12 13 1) (12 16 2) (14 15 2) (15 16 1) (17 18 1) (19 18 1 :DOWN) (20 19 1) (19 21 1) (20 27 1) (21 23 1) (23 25 1) (25 27 1) (21 22 1 :UP) (23 24 1 :DOWN) (25 26 1 :UP) (27 29 1 :DOWN) (29 28 1) (12 30 1) (16 31 1) (15 32 1) (4 33 1) (2 34 1)) NIL
STRUCTURE-ATOMS (C C C C C C O C O C C C C C C C C O C O C O C O C O C O C R1 R2 R3 R4 R5) NIL
Cucurbitacins a cucurbitacin DISPLAY-COORDS-2D ((-197830 -8460) (-212610 -71740) (223070 -75480) (73610 -248480) (-424840 215970) (-424460 52680) (144600 -277620) (356470 -69120) (286590 47450) (-141240 51570) (2610 50820) (2990 -32510) (-69500 93040) (-212610 93420) (74730 -73990) (-141980 -31390) (-212610 175620) (-69870 -73610) (146850 51570) (147220 -31760) (-68750 175980) (-283590 217100) (74730 -155440) (-283590 52680) (-140500 216720) (2610 131890) (2610 -131520) (-354220 175620) (-354220 93420) (144600 -196540) (-341890 274630) (-224940 278740) (-10470 -202520) (215220 -155440) (285840 -195790) (355720 -154690) (426330 -195040) (425590 -114340) (356470 5600) (427450 45210) (-248480 11580)) NIL
STRUCTURE-BONDS ((10 1 1 :UP) (2 16 2) (20 3 1 :DOWN) (23 4 1 :UP) (5 28 2) (29 6 1 :UP) (7 30 2) (8 36 1) (8 39 1) (9 39 2) (10 13 1) (10 14 1) (10 16 1) (11 12 1) (11 13 1) (11 19 1) (11 26 1 :DOWN) (12 15 1) (12 18 1) (12 27 1 :UP) (13 21 1) (14 17 1) (14 24 1) (14 41 1 :DOWN) (15 20 1) (15 23 1) (16 18 1) (17 22 1) (17 25 2) (19 20 1) (21 25 1) (22 28 1) (22 31 1) (22 32 1) (23 30 1) (23 33 1 :DOWN) (24 29 1) (28 29 1) (30 34 1) (34 35 2) (35 36 1) (36 37 1) (36 38 1) (39 40 1)) NIL
STRUCTURE-ATOMS (R O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C H) NIL
23-24-Dihydrocucurbitacins a 23,24-dihydrocucurbitacin DISPLAY-COORDS-2D ((-197830 -8460) (-212610 -71740) (223070 -75480) (73610 -248480) (-424840 215970) (-424460 52680) (144600 -277620) (356470 -69120) (286590 47450) (-141240 51570) (2610 50820) (2990 -32510) (-69500 93040) (-212610 93420) (74730 -73990) (-141980 -31390) (-212610 175620) (-69870 -73610) (146850 51570) (147220 -31760) (-68750 175980) (-283590 217100) (74730 -155440) (-283590 52680) (-140500 216720) (2610 131890) (2610 -131520) (-354220 175620) (-354220 93420) (144600 -196540) (-341890 274630) (-224940 278740) (-10470 -202520) (215220 -155440) (285840 -195790) (355720 -154690) (426330 -195040) (425590 -114340) (356470 5600) (427450 45210) (-248480 11580)) NIL
STRUCTURE-BONDS ((10 1 1 :UP) (2 16 2) (20 3 1 :DOWN) (23 4 1 :UP) (5 28 2) (29 6 1 :UP) (7 30 2) (8 36 1) (8 39 1) (9 39 2) (10 13 1) (10 14 1) (10 16 1) (11 12 1) (11 13 1) (11 19 1) (11 26 1 :DOWN) (12 15 1) (12 18 1) (12 27 1 :UP) (13 21 1) (14 17 1) (14 24 1) (14 41 1 :DOWN) (15 20 1) (15 23 1) (16 18 1) (17 22 1) (17 25 2) (19 20 1) (21 25 1) (22 28 1) (22 31 1) (22 32 1) (23 30 1) (23 33 1 :DOWN) (24 29 1) (28 29 1) (30 34 1) (34 35 1) (35 36 1) (36 37 1) (36 38 1) (39 40 1)) NIL
STRUCTURE-ATOMS (R O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C H) NIL
Farnesols a farnesol DISPLAY-COORDS-2D ((-16652 -29411) (-16652 -21161) (-22485 -15327) (-9507 -33536) (-2362 -29411) (4782 -33536) (11927 -29411) (19072 -33536) (26216 -29411) (33361 -33536) (40506 -29411) (47651 -33536) (54795 -29411) (-9507 -41786) (19072 -41786) (47651 -41786)) NIL
STRUCTURE-BONDS ((12 16 1) (8 15 1) (4 14 1) (12 13 1) (11 12 2) (10 11 1) (9 10 1) (8 9 1) (7 8 2 :EITHER-CIS-OR-TRANS) (6 7 1) (5 6 1) (4 5 1) (1 4 2 :EITHER-CIS-OR-TRANS) (2 3 1) (1 2 1)) NIL
STRUCTURE-ATOMS (C C O C C C C C C C C C C C C C) NIL
Beta-Lactams a β-lactam DISPLAY-COORDS-2D ((-7128 -4036) (-7712 -3452) (-6546 -3452) (-7128 -2869) (-7128 -4861) (-8537 -3452) (-7128 -2044) (-5720 -3452)) NIL
STRUCTURE-BONDS ((1 2 1) (1 3 1) (3 4 1) (2 4 1) (1 5 2) (2 6 1) (4 7 1) (3 8 1)) NIL
STRUCTURE-ATOMS (C C N C O R1 R2 R3) NIL
tRNAs-with-glutamylated-queuosine glutamyl-queuosine at position 34 of a tRNAAsp ATOM-CHARGES ((39 -1) (35 -1)) NIL
DISPLAY-COORDS-2D ((162710 -27600) (-109280 12320) (113740 39470) (113740 -95200) (-36890 -193670) (-37420 55430) (33370 13380) (33370 -69120) (-109280 -69120) (-36890 -111170) (-182200 54900) (104900 168130) (38150 119640) (-28590 168130) (-3100 246590) (79400 246590) (-108280 146780) (120650 318030) (-24450 326280) (-179730 188030) (-259410 166670) (33890 384610) (135090 -174890) (214780 -196240) (286230 -154990) (352970 -203480) (311720 -76530) (394220 -76530) (419710 -154990) (415570 3160) (290370 3160) (487020 44410) (558460 3160) (487020 126910) (558460 -79340) (629910 44410) (558460 168160) (558460 250660) (500130 309000) (629910 291910)) NIL
STRUCTURE-BONDS ((11 2 1) (10 9 1) (9 2 1) (8 10 1) (8 7 2) (7 3 1) (6 7 1) (5 10 2) (4 8 1) (3 1 1) (2 6 2) (1 4 2) (12 3 1 :UP) (16 12 1) (13 12 1) (13 14 1) (14 15 1) (15 16 1) (14 17 1 :UP) (16 18 1 :DOWN) (15 19 1 :DOWN) (17 20 1) (20 21 1) (19 22 1) (4 23 1) (23 24 1) (25 24 1 :UP) (26 25 1) (25 27 1) (27 28 1) (28 29 1) (26 29 2) (28 30 1 :DOWN) (27 31 1 :DOWN) (32 30 1 :DOWN) (32 33 1) (32 34 1) (33 35 1) (33 36 2) (34 37 1) (37 38 1) (38 39 1) (38 40 2)) NIL
STRUCTURE-ATOMS (C C N C O N C C N C N C O C C C C C O O R1 R2 C N C C C C C N O C C C O O C C C O) NIL
tRNAs-with-queuosine queuosine at position 34 of a tRNA containing GUN anticodon DISPLAY-COORDS-2D ((162710 -27600) (-109280 12320) (113740 39470) (113740 -95200) (-36890 -193670) (-37420 55430) (33370 13380) (33370 -69120) (-109280 -69120) (-36890 -111170) (-182200 54900) (104900 168130) (38150 119640) (-28590 168130) (-3100 246590) (79400 246590) (-108280 146780) (120650 318030) (-24450 326280) (-179730 188030) (-259410 166670) (33890 384610) (135090 -174890) (214780 -196240) (286230 -154990) (352970 -203480) (311720 -76530) (394220 -76530) (419710 -154990) (415570 3160) (290370 3160)) NIL
STRUCTURE-BONDS ((11 2 1) (10 9 1) (9 2 1) (8 10 1) (8 7 2) (7 3 1) (6 7 1) (5 10 2) (4 8 1) (3 1 1) (2 6 2) (1 4 2) (12 3 1 :UP) (16 12 1) (13 12 1) (13 14 1) (14 15 1) (15 16 1) (14 17 1 :UP) (16 18 1 :DOWN) (15 19 1 :DOWN) (17 20 1) (20 21 1) (19 22 1) (4 23 1) (23 24 1) (25 24 1 :UP) (26 25 1) (25 27 1) (27 28 1) (28 29 1) (26 29 2) (28 30 1 :DOWN) (27 31 1 :DOWN)) NIL
STRUCTURE-ATOMS (C C N C O N C C N C N C O C C C C C O O R1 R2 C N C C C C C O O) NIL
Ribonucleotides a ribonucleotide ATOM-CHARGES ((9 -1) (4 -1)) NIL
DISPLAY-COORDS-2D ((2467900 -1986700) (6247200 0) (4449500 -1300) (2465400 -340900) (6936200 -2577700) (3904500 -1710000) (3290700 -1161900) (5347000 -1931800) (1644100 -1163700) (5763000 -665200) (4935600 -665200) (6017400 -1452600) (4685900 -1452600) (2467000 -1163700)) NIL
STRUCTURE-BONDS ((11 13 1) (10 12 1) (10 11 1) (9 14 1) (8 13 1) (8 12 1) (7 14 1) (13 6 1 :UP) (6 7 1) (12 5 1 :UP) (4 14 1) (11 3 1 :DOWN) (10 2 1 :DOWN) (1 14 2)) NIL
STRUCTURE-ATOMS (O O O O |Bases| C O O O C C C C P) NIL
Deoxynucleotides a deoxyribonucleotide ATOM-CHARGES ((8 -1) (3 -1)) NIL
DISPLAY-COORDS-2D ((2467700 -1986600) (4449200 -1300) (2465200 -340900) (6935800 -2577500) (3904300 -1709900) (3290500 -1161800) (5346700 -1931700) (1644000 -1163600) (5762600 -665200) (4935300 -665200) (6017000 -1452500) (4685600 -1452500) (2466800 -1163600)) NIL
STRUCTURE-BONDS ((10 12 1) (9 11 1) (9 10 1) (8 13 1) (7 12 1) (7 11 1) (6 13 1) (12 5 1 :UP) (5 6 1) (11 4 1 :UP) (3 13 1) (10 2 1 :DOWN) (1 13 2)) NIL
STRUCTURE-ATOMS (O O O |Bases| C O O O C C C C P) NIL
N-acetyl-a-D-hexosamine-1-phosphates an N-acetyl-α-D-hexosamine-1-phosphate DISPLAY-COORDS-2D ((36830000 -33000000) (0 -33000000) (14290000 0) (0 -8250000) (28578000 -8251000) (36830000 -16500000) (45080000 -24750000) (0 -24750000) (14290000 -24750000) (28580000 -24750000) (14290000 -8250000) (7142000 -12375000) (21432000 -12375000) (7142000 -20625000) (21432000 -20625000) (36830000 -24750000) (28578000 -1000) (21433000 4124000) (35723000 4124000)) NIL
STRUCTURE-BONDS ((13 15 1) (12 14 1) (11 13 1) (11 12 1) (10 16 1) (15 10 1 :DOWN) (9 15 1) (9 14 1) (8 14 1) (7 16 1) (6 16 1) (5 13 1) (4 12 1) (3 11 1) (2 8 1) (1 16 2) (5 17 1) (17 18 1) (17 19 2)) NIL
STRUCTURE-ATOMS (O O O O N O O C O O C C C C C P C C O) NIL
Galactosides a galactoside DISPLAY-COORDS-2D ((1881 1054) (1798 1054) (1726 1097) (1726 1179) (1798 1220) (1583 1179) (1511 1220) (1655 1220) (1583 1097) (1511 1054) (1440 1097) (1655 1054) (1655 1303)) NIL
STRUCTURE-BONDS ((1 2 1) (3 2 1) (4 3 1) (12 3 1) (12 9 1) (9 6 1) (6 8 1) (8 4 1) (4 5 1 :DOWN) (6 7 1 :UP) (8 13 1 :UP) (9 10 1) (10 11 1)) NIL
STRUCTURE-ATOMS (R O C C O C O C C C O O O) NIL
Beta-D-Galactosides a β-D-galactoside DISPLAY-COORDS-2D ((1870 1048) (1787 1048) (1716 1090) (1716 1172) (1787 1213) (1573 1172) (1502 1213) (1645 1213) (1573 1090) (1502 1048) (1431 1090) (1645 1048) (1645 1295)) NIL
STRUCTURE-BONDS ((1 2 1) (3 2 1 :UP) (4 3 1) (12 3 1) (12 9 1) (9 6 1) (6 8 1) (8 4 1) (4 5 1 :DOWN) (6 7 1 :UP) (8 13 1 :UP) (9 10 1 :UP) (10 11 1)) NIL
STRUCTURE-ATOMS (R O C C O C O C C C O O O) NIL
Hexosamines a hexosamine DISPLAY-COORDS-2D ((-5801 -7064) (-12945 -2939) (-12945 5312) (-5801 9437) (1344 5312) (1344 -2939) (-20087 9437) (-20087 -7064) (8489 -7064) (-5801 17685) (8489 9437) (-27232 -2939)) NIL
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (3 7 1) (2 8 1) (6 9 1) (4 10 1) (5 11 1) (8 12 1)) NIL
STRUCTURE-ATOMS (O C C C C C O C O O N O) NIL
N-acetyl-D-hexosamines an N-acetyl-D-hexosamine DISPLAY-COORDS-2D ((5668 -22875) (5668 -14625) (12812 -10500) (19957 -14625) (19957 -22875) (12812 -27000) (-1477 -27000) (34247 -14625) (34247 -22875) (27102 -10500) (41391 -10500) (27102 -27000) (12812 -2250) (-1477 -10500) (-1477 -35250)) NIL
STRUCTURE-BONDS ((8 9 1) (8 11 2) (10 8 1) (2 14 1) (3 13 1 :UP) (4 10 1 :DOWN) (5 12 1) (7 15 1) (1 7 1 :UP) (4 5 1) (3 4 1) (2 3 1) (1 2 1) (6 5 1) (6 1 1)) NIL
STRUCTURE-ATOMS (C C C C C O C C C N O O O O O) NIL
Hexosaminides a hexosaminide DISPLAY-COORDS-2D ((-5801 -7064) (-12945 -2939) (-12945 5312) (-5801 9437) (1344 5312) (1344 -2939) (-20086 9437) (-20086 -7064) (8489 -7064) (-5801 17684) (8489 9437) (-27231 -2939) (16739 -7064)) NIL
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (3 7 1) (2 8 1) (6 9 1) (4 10 1) (5 11 1) (8 12 1) (9 13 1)) NIL
STRUCTURE-ATOMS (O C C C C C O C O O N O R) NIL
D-Glucosaminides a D-glucosaminide DISPLAY-COORDS-2D ((-5801 -7064) (-12945 -2939) (-12945 5312) (-5801 9437) (1344 5312) (1344 -2939) (-20084 9437) (-20084 -7064) (8489 -7064) (-5801 17682) (8489 9437) (-27229 -2939) (16737 -7064)) NIL
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (3 7 1 :DOWN) (2 8 1 :UP) (6 9 1) (4 10 1 :UP) (5 11 1 :DOWN) (8 12 1) (9 13 1)) NIL
STRUCTURE-ATOMS (O C C C C C O C O O N O R) NIL
D-Galactosaminides a D-galactosaminide DISPLAY-COORDS-2D ((-5801 -7064) (-12945 -2939) (-12945 5312) (-5801 9437) (1344 5312) (1344 -2939) (-20085 9437) (-20085 -7064) (8489 -7064) (-5801 17683) (8489 9437) (-27230 -2939) (16738 -7064)) NIL
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (3 7 1 :UP) (2 8 1 :UP) (6 9 1) (4 10 1 :UP) (5 11 1 :DOWN) (8 12 1) (9 13 1)) NIL
STRUCTURE-ATOMS (O C C C C C O C O O N O R) NIL
N-Acetyl-D-Hexosaminides an N-acetyl-D-hexosaminide DISPLAY-COORDS-2D ((4283 0) (4993 -1236) (0 -2473) (710 -1244) (2138 -419) (4667 -2889) (710 -2893) (3567 -1244) (3567 -2893) (2138 -2893) (4278 -825) (1425 -1656) (2138 -1244) (1425 -2481) (2853 -2481) (2853 -1656)) NIL
STRUCTURE-BONDS ((15 16 1) (13 16 1) (12 14 1) (12 13 1) (10 15 1) (10 14 1) (15 9 1) (16 8 1) (8 11 1) (14 7 1 :UP) (6 9 1) (13 5 1) (12 4 1) (3 7 1) (2 11 2) (1 11 1)) NIL
STRUCTURE-ATOMS (C O O O O R C N O O C C C C C C) NIL
Fructose Fructose DISPLAY-COORDS-2D ((-64527 -8786) (-71201 -3936) (-68652 3909) (-60402 3909) (-57853 -3936) (-73501 10584) (-55553 10584) (-50006 -6486) (-52019 1897) (-79047 -6486) (-85178 -965) (-78082 616) (-67178 12027) (-61527 12082) (-48291 -14555)) NIL
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (1 5 1) (3 6 1 :UP) (4 7 1 :DOWN) (5 8 1 :UP) (5 9 1) (2 10 1) (10 11 1) (2 12 1) (3 13 1) (4 14 1) (8 15 1)) NIL
STRUCTURE-ATOMS (O C C C C O O C H C O O H H O) NIL
D-Galactosylglycosaminoglycans a D-galactosylglycosaminoglycan DISPLAY-COORDS-2D ((-12670 -23572) (-19814 -19447) (-19814 -11196) (-12670 -7071) (-5525 -11196) (-5525 -19447) (-26959 -23572) (1620 -23572) (3755 -31540) (1620 -7071) (1620 1179) (-2151 7896) (8764 5304) (-25648 -5363) (-34104 -19447) (-41248 -23572) (-37123 -30716) (-45373 -16427) (-48393 -27697) (-12375 13848) (-28875 14732) (-36020 18857) (-36020 27107) (-28875 31232) (-21730 27107) (-21730 18857) (-14586 31232) (-28875 39482) (-43164 31232) (-43164 14732) (-41029 6763) (-51133 16867) (-34709 45316) (-8752 37066) (3623 44211) (-502 37066) (-12877 44211) (-8752 51355) (-502 51355) (5332 31232) (11873 44211) (4580 58132) (-14586 57189) (-10461 64334)) NIL
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (2 7 1 :UP) (6 8 1 :UP) (8 9 1) (10 5 1 :DOWN) (10 11 1) (11 12 1) (11 13 2) (3 14 1 :UP) (7 15 1) (15 16 1) (16 17 2) (16 18 2) (16 19 1) (4 20 1 :UP) (21 22 1) (22 23 1) (23 24 1) (24 25 1) (25 26 1) (21 26 1) (26 20 1 :UP) (27 25 1 :DOWN) (24 28 1) (29 23 1 :DOWN) (22 30 1 :UP) (30 31 1) (30 32 2) (28 33 1) (34 27 1 :UP) (36 34 1) (34 37 1) (35 36 1) (37 38 1) (38 39 1) (35 39 1) (40 36 1 :DOWN) (35 41 1 :UP) (39 42 1 :UP) (38 43 1 :UP) (43 44 1)) NIL
STRUCTURE-ATOMS (O C C C C C C C R1 N C C O O O S O O O O O C C C C C O O O C O O R2 C C C O C C O O O C O) NIL
Protein-L-methionine a protein L-methionine DISPLAY-COORDS-2D ((41750 -26229) (52040 -13369) (7340 -12149) (14480 -16269) (21620 -12149) (28770 -16269) (41750 -17979) (35910 -12149) (35910 -3899) (46550 2121)) NIL
STRUCTURE-BONDS ((9 10 1) (8 9 1 :UP) (1 7 2) (2 7 1) (3 4 1) (4 5 1) (5 6 1) (6 8 1) (7 8 1)) NIL
STRUCTURE-ATOMS (O |Protein| C S C C C C N |Protein|) NIL
Protein-L-methionine-R-S-oxides a protein-L-methionine-(R)-S-oxide DISPLAY-COORDS-2D ((41740 -26223) (52028 -13366) (7338 -12146) (14477 -16265) (21615 -12146) (28763 -16265) (41740 -17975) (35902 -12146) (35902 -3898) (46539 2121) (14477 -24515)) NIL
STRUCTURE-BONDS ((9 10 1) (8 9 1 :UP) (1 7 2) (2 7 1) (4 3 1 :UP) (4 5 1) (5 6 1) (6 8 1) (7 8 1) (4 11 2)) NIL
STRUCTURE-ATOMS (O |Protein| C S C C C C N |Protein| O) NIL
Protein-L-Methionine-S-Oxides a protein-L-methionine-(S)-S-oxide DISPLAY-COORDS-2D ((41741 -26224) (52029 -13366) (7338 -12146) (14477 -16265) (21615 -12146) (28764 -16265) (41741 -17975) (35903 -12146) (35903 -3898) (46540 2121) (14477 -24516)) NIL
STRUCTURE-BONDS ((9 10 1) (8 9 1 :UP) (1 7 2) (2 7 1) (4 3 1 :DOWN) (4 5 1) (5 6 1) (6 8 1) (7 8 1) (4 11 2)) NIL
STRUCTURE-ATOMS (O |Protein| C S C C C C N |Protein| O) NIL
257 Compounds have structure differences between MaizeCyc and PlantCyc.
ID Name Slot MaizeCyc Value PlantCyc Value
CPD-506 D-myo-inositol (1,3,4,5)-tetrakisphosphate ATOM-CHARGES ((18 -1) (11 -1) (10 -1) (9 -1) (7 -1) (6 -1) (5 -1) (2 -1)) ((18 -1) (11 -1) (10 -1) (9 -1) (7 -1) (5 -1) (2 -1))
CPD-6742 D-myo-inositol (1,2,5,6) tetrakisphosphate ATOM-CHARGES ((28 -1) (26 -1) (9 -1) (8 -1) (6 -1) (5 -1) (4 -1) (2 -1)) ((28 -1) (26 -1) (9 -1) (8 -1) (6 -1) (4 -1) (2 -1))
DISPLAY-COORDS-2D ((6145 -1423) (4366 -6601) (1490 -4919) (6955 -2861) (7293 -1784) (5191 -5776) (3540 -5776) (2563 -5270) (1834 -3790) (5795 -4126) (5795 -2475) (4366 -4951) (4366 -1650) (2936 -4126) (2936 -2475) (5081 -3712) (5081 -2888) (4366 -4126) (4366 -2475) (3652 -3712) (3652 -2888) (6550 -2142) (4366 -5776) (2213 -4523) (6509 -4539) (7224 -4951) (6097 -5253) (6922 -3824)) ((6144 -1423) (4365 -6600) (1490 -4918) (6954 -2861) (7292 -1784) (5190 -5775) (3540 -5775) (2563 -5269) (1834 -3789) (5794 -4125) (5794 -2475) (4365 -4950) (4365 -1650) (2936 -4125) (2936 -2475) (5080 -3712) (5080 -2888) (4365 -4125) (4365 -2475) (3651 -3712) (3651 -2888) (6549 -2142) (4365 -5775) (2213 -4522) (6508 -4538) (7223 -4950) (6096 -5252) (6921 -3823))
INOSITOL-1456-TETRAKISPHOSPHATE D-myo-inositol (1,4,5,6)-tetrakisphosphate ATOM-CHARGES ((28 -1) (26 -1) (9 -1) (8 -1) (6 -1) (5 -1) (4 -1) (2 -1)) ((28 -1) (26 -1) (9 -1) (8 -1) (6 -1) (4 -1) (2 -1))
CPD-1107 D-myo-inositol (1,3,4,5,6)-pentakisphosphate ATOM-CHARGES ((32 -1) (30 -1) (29 -1) (27 -1) (25 -1) (23 -1) (18 -1) (16 -1) (13 -1) (11 -1)) ((32 -1) (30 -1) (18 -1) (11 -1) (10 -1) (9 -1) (7 -1) (5 -1) (2 -1))
DISPLAY-COORDS-2D ((714 -412) (0 -825) (714 412) (-714 412) (0 825) (-714 -412) (1429 -825) (0 -1650) (-1429 -825) (-1429 825) (1429 -1650) (714 -2889) (-714 -2062) (-2143 -2062) (-2143 -412) (-2858 825) (0 1650) (-1429 1650) (-714 2889) (1429 825) (1429 2476) (-1429 -1650) (-1429 -2476) (714 -2062) (1429 -2476) (-714 2062) (-1429 2476) (-2143 412) (-2858 0) (2143 2062) (1429 1650) (714 2062)) ((6144 -1423) (4365 -6600) (3540 -825) (2593 -1360) (6954 -2861) (7292 -1784) (5190 -5775) (3540 -5775) (4365 0) (5190 -825) (1822 -2819) (5794 -4125) (5794 -2475) (4365 -4950) (4365 -1650) (2936 -4125) (2936 -2475) (1457 -1747) (5080 -3712) (5080 -2888) (4365 -4125) (4365 -2475) (3651 -3712) (3651 -2888) (6549 -2142) (4365 -5775) (4365 -825) (2208 -2089) (6508 -4538) (7223 -4950) (6096 -5252) (6921 -3823))
STRUCTURE-BONDS ((1 7 1 :UP) (1 2 1) (2 8 1 :UP) (3 1 1) (3 20 1 :UP) (4 10 1 :UP) (4 5 1) (3 5 1) (5 17 1 :DOWN) (6 4 1) (2 6 1) (6 9 1 :DOWN) (8 24 1) (9 22 1) (10 28 1) (24 11 1) (24 12 2) (22 13 1) (22 14 2) (28 15 2) (28 16 1) (26 17 1) (18 26 1) (26 19 2) (31 20 1) (31 21 2) (22 23 1) (24 25 1) (26 27 1) (28 29 1) (31 30 1) (31 32 1)) ((23 24 1) (22 24 1) (21 23 1) (20 22 1) (19 21 1) (19 20 1) (18 28 1) (17 28 1) (24 17 1 :UP) (23 16 1 :UP) (15 27 1) (22 15 1 :DOWN) (14 26 1) (21 14 1 :UP) (13 25 1) (20 13 1 :UP) (19 12 1 :DOWN) (11 28 1) (10 27 1) (9 27 1) (8 26 2) (7 26 1) (6 25 1) (5 25 1) (4 28 2) (3 27 2) (2 26 1) (1 25 2) (12 29 1) (29 30 1) (29 31 2) (29 32 1))
STRUCTURE-ATOMS (C C C C C C O O O O O O O O O O O O O O O P O P O P O P O O P O) (O O O O O O O O O O O O O O O O O O C C C C C C P P P P P O O O)
CPD-6741 D-myo-inositol (1,2,3,5,6) pentakisphosphate ATOM-CHARGES ((32 -1) (30 -1) (18 -1) (11 -1) (10 -1) (9 -1) (7 -1) (6 -1) (5 -1) (2 -1)) ((32 -1) (30 -1) (18 -1) (11 -1) (10 -1) (9 -1) (7 -1) (5 -1) (2 -1))
DISPLAY-COORDS-2D ((6145 -1423) (4366 -6601) (1490 -4919) (2593 -1360) (6955 -2861) (7293 -1784) (5191 -5776) (3540 -5776) (2563 -5270) (1834 -3790) (1822 -2819) (5795 -4126) (5795 -2475) (4366 -4951) (4366 -1650) (2936 -4126) (2936 -2475) (1457 -1747) (5081 -3712) (5081 -2888) (4366 -4126) (4366 -2475) (3652 -3712) (3652 -2888) (6550 -2142) (4366 -5776) (2213 -4523) (2208 -2089) (6509 -4539) (7224 -4951) (6097 -5253) (6922 -3824)) ((6144 -1423) (4365 -6600) (1490 -4918) (2593 -1360) (6954 -2861) (7292 -1784) (5190 -5775) (3540 -5775) (2563 -5269) (1834 -3789) (1822 -2819) (5794 -4125) (5794 -2475) (4365 -4950) (4365 -1650) (2936 -4125) (2936 -2475) (1457 -1747) (5080 -3712) (5080 -2888) (4365 -4125) (4365 -2475) (3651 -3712) (3651 -2888) (6549 -2142) (4365 -5775) (2213 -4522) (2208 -2089) (6508 -4538) (7223 -4950) (6096 -5252) (6921 -3823))
MI-PENTAKISPHOSPHATE D-myo-inositol (1,2,3,4,5)-pentakisphosphate ATOM-CHARGES ((32 -1) (30 -1) (28 -1) (26 -1) (24 -1) (21 -1) (20 -1) (18 -1) (16 -1) (14 -1)) ((21 -1) (14 -1) (13 -1) (12 -1) (11 -1) (10 -1) (8 -1) (6 -1) (2 -1))
DISPLAY-COORDS-2D ((12824 3288) (12110 3701) (12110 4526) (13539 4526) (12824 4938) (13539 3701) (14253 3288) (12824 2464) (11396 3288) (11396 4938) (12824 5764) (14253 4938) (13539 1226) (14364 2051) (13539 2051) (13539 2876) (10571 2464) (9746 3288) (10571 3288) (10571 4114) (11396 6588) (12221 5764) (11396 5764) (10571 5764) (13539 7001) (13539 5351) (13539 6176) (14364 6176) (15078 4114) (15078 5764) (15078 4938) (15903 4938)) ((6144 -1423) (4365 -6600) (3540 -825) (1490 -4918) (2593 -1360) (6954 -2861) (7292 -1784) (5190 -5775) (3540 -5775) (4365 0) (5190 -825) (2563 -5269) (1834 -3789) (1822 -2819) (5794 -4125) (5794 -2475) (4365 -4950) (4365 -1650) (2936 -4125) (2936 -2475) (1457 -1747) (5080 -3712) (5080 -2888) (4365 -4125) (4365 -2475) (3651 -3712) (3651 -2888) (6549 -2142) (4365 -5775) (4365 -825) (2213 -4522) (2208 -2089))
STRUCTURE-BONDS ((1 2 1) (1 6 1) (2 3 1) (3 5 1) (5 4 1) (4 6 1) (1 8 1 :UP) (2 9 1 :UP) (3 10 1 :UP) (4 12 1 :UP) (5 11 1 :DOWN) (6 7 1 :DOWN) (8 15 1) (9 19 1) (10 23 1) (11 27 1) (12 31 1) (15 13 2) (15 14 1) (15 16 1) (19 17 2) (19 18 1) (19 20 1) (23 21 1) (23 22 2) (23 24 1) (27 25 2) (27 26 1) (27 28 1) (31 29 2) (31 30 1) (31 32 1)) ((26 27 1) (25 27 1) (24 26 1) (23 25 1) (22 24 1) (22 23 1) (21 32 1) (20 32 1) (27 20 1 :UP) (19 31 1) (26 19 1 :UP) (18 30 1) (25 18 1 :DOWN) (17 29 1) (24 17 1 :UP) (16 28 1) (23 16 1 :UP) (22 15 1 :DOWN) (14 32 1) (13 31 1) (12 31 1) (11 30 1) (10 30 1) (9 29 2) (8 29 1) (7 28 1) (6 28 1) (5 32 2) (4 31 2) (3 30 2) (2 29 1) (1 28 2))
STRUCTURE-ATOMS (C C C C C C O O O O O O O O P O O O P O O O P O O O P O O O P O) (O O O O O O O O O O O O O O O O O O O O O C C C C C C P P P P P)
CPD-534 D-myo-inositol (1,2,4,5,6)-pentakisphosphate ATOM-CHARGES ((32 -1) (29 -1) (28 -1) (25 -1) (22 -1) (21 -1) (20 -1) (18 -1) (16 -1) (14 -1)) ((32 -1) (30 -1) (12 -1) (11 -1) (10 -1) (9 -1) (7 -1) (5 -1) (2 -1))
DISPLAY-COORDS-2D ((-1250 -20125) (-8395 -16000) (-8395 -7750) (-15539 -3625) (5895 -7750) (-1250 -3625) (5895 -16000) (-15539 -20125) (-1250 4625) (13039 -3625) (13039 -20125) (-1250 -28375) (5895 -40750) (5895 -24250) (5895 -32500) (14145 -32500) (21289 -28375) (29539 -20125) (21289 -20125) (21289 -11875) (-15539 -36625) (-23789 -28375) (-15539 -28375) (-7289 -28375) (-16645 8750) (-8395 500) (-8395 8750) (-8395 17000) (21289 4625) (4789 4625) (13039 4625) (13039 12875)) ((6144 -1423) (4365 -6600) (3540 -825) (1490 -4918) (6954 -2861) (7292 -1784) (5190 -5775) (3540 -5775) (4365 0) (5190 -825) (2563 -5269) (1834 -3789) (5794 -4125) (5794 -2475) (4365 -4950) (4365 -1650) (2936 -4125) (2936 -2475) (5080 -3712) (5080 -2888) (4365 -4125) (4365 -2475) (3651 -3712) (3651 -2888) (6549 -2142) (4365 -5775) (4365 -825) (2213 -4522) (6508 -4538) (7223 -4950) (6096 -5252) (6921 -3823))
STRUCTURE-BONDS ((1 2 1) (1 7 1) (2 3 1) (3 6 1) (6 5 1) (5 7 1) (1 12 1 :UP) (2 8 1 :UP) (3 4 1 :UP) (5 10 1 :UP) (6 9 1 :DOWN) (7 11 1 :DOWN) (8 23 1) (9 27 1) (10 31 1) (11 19 1) (12 15 1) (15 13 2) (15 14 1) (15 16 1) (19 17 2) (19 18 1) (19 20 1) (23 21 1) (23 22 1) (23 24 2) (27 25 1) (27 26 2) (27 28 1) (31 29 1) (31 30 2) (31 32 1)) ((23 24 1) (22 24 1) (21 23 1) (20 22 1) (19 21 1) (19 20 1) (24 18 1 :UP) (17 28 1) (23 17 1 :UP) (16 27 1) (22 16 1 :DOWN) (15 26 1) (21 15 1 :UP) (14 25 1) (20 14 1 :UP) (19 13 1 :DOWN) (12 28 1) (11 28 1) (10 27 1) (9 27 1) (8 26 2) (7 26 1) (6 25 1) (5 25 1) (4 28 2) (3 27 2) (2 26 1) (1 25 2) (13 29 1) (29 30 1) (29 31 2) (29 32 1))
STRUCTURE-ATOMS (C C C O C C C O O O O O O O P O O O P O O O P O O O P O O O P O) (O O O O O O O O O O O O O O O O O O C C C C C C P P P P P O O O)
MI-HEXAKISPHOSPHATE 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate ATOM-CHARGES ((36 -1) (35 -1) (34 -1) (33 -1) (32 -1) (31 -1) (30 -1) (29 -1) (28 -1) (27 -1) (26 -1) (25 -1)) ((36 -1) (34 -1) (21 -1) (14 -1) (13 -1) (12 -1) (11 -1) (10 -1) (8 -1) (6 -1) (2 -1))
DISPLAY-COORDS-2D ((6492 3891) (6492 3066) (5777 2654) (5090 3066) (5090 3891) (5777 4304) (6492 1416) (7922 3066) (7207 5129) (5090 5514) (3660 3891) (4375 1829) (7207 2654) (5777 5101) (5777 1856) (4375 4304) (7207 4304) (4375 2654) (4072 3176) (7510 3781) (4677 4799) (5200 1829) (6382 5129) (6932 2131) (4375 5926) (5502 6229) (8637 3479) (7207 5926) (8032 5129) (2972 3479) (3247 4606) (8335 2351) (6080 729) (7207 1031) (4375 1031) (3550 1829)) ((6144 -1423) (4365 -6600) (3540 -825) (1490 -4918) (2593 -1360) (6954 -2861) (7292 -1784) (5190 -5775) (3540 -5775) (4365 0) (5190 -825) (2563 -5269) (1834 -3789) (1822 -2819) (5794 -4125) (5794 -2475) (4365 -4950) (4365 -1650) (2936 -4125) (2936 -2475) (1457 -1747) (5080 -3712) (5080 -2888) (4365 -4125) (4365 -2475) (3651 -3712) (3651 -2888) (6549 -2142) (4365 -5775) (4365 -825) (2213 -4522) (2208 -2089) (6508 -4538) (7223 -4950) (6096 -5252) (6921 -3823))
STRUCTURE-BONDS ((2 1 1) (6 1 1) (1 17 1 :DOWN) (3 2 1) (2 13 1 :UP) (3 15 1 :UP) (4 3 1) (5 4 1) (4 18 1 :UP) (6 5 1) (5 16 1 :DOWN) (6 14 1 :UP) (15 7 1) (24 7 2) (33 7 1) (34 7 1) (13 8 1) (20 8 2) (27 8 1) (32 8 1) (17 9 1) (23 9 2) (28 9 1) (29 9 1) (14 10 1) (21 10 2) (25 10 1) (26 10 1) (16 11 1) (19 11 2) (30 11 1) (31 11 1) (18 12 1) (22 12 2) (35 12 1) (36 12 1)) ((26 27 1) (25 27 1) (24 26 1) (23 25 1) (22 24 1) (22 23 1) (21 32 1) (20 32 1) (27 20 1 :UP) (19 31 1) (26 19 1 :UP) (18 30 1) (25 18 1 :DOWN) (17 29 1) (24 17 1 :UP) (16 28 1) (23 16 1 :UP) (22 15 1 :DOWN) (14 32 1) (13 31 1) (12 31 1) (11 30 1) (10 30 1) (9 29 2) (8 29 1) (7 28 1) (6 28 1) (5 32 2) (4 31 2) (3 30 2) (2 29 1) (1 28 2) (15 33 1) (33 34 1) (33 35 2) (33 36 1))
STRUCTURE-ATOMS (C C C C C C P P P P P P O O O O O O O O O O O O O O O O O O O O O O O O) (O O O O O O O O O O O O O O O O O O O O O C C C C C C P P P P P P O O O)
D-MYO-INOSITOL-1-MONOPHOSPHATE 1D-myo-inositol (1)-monophosphate ATOM-CHARGES ((16 -1) (14 -1)) ((2 -1) (1 -1))
DISPLAY-COORDS-2D ((1875 -19187) (-5270 -15063) (-12414 -19187) (-5270 -6812) (-12414 -2687) (9020 -6812) (16164 -2687) (1875 -2687) (1875 5563) (9020 -15063) (16164 -19187) (1875 -27437) (9020 -39812) (9020 -23312) (9020 -31562) (17269 -31562)) ((4366 -6601) (5191 -5776) (3541 -5776) (5795 -4126) (5795 -2476) (4366 -4951) (4366 -1650) (2937 -4126) (2937 -2476) (5081 -3713) (5081 -2889) (4366 -4126) (4366 -2476) (3652 -3713) (3652 -2889) (4366 -5776))
STRUCTURE-BONDS ((1 2 1) (1 10 1) (2 4 1) (4 8 1) (8 6 1) (6 10 1) (1 12 1 :UP) (2 3 1 :UP) (4 5 1 :UP) (6 7 1 :UP) (8 9 1 :DOWN) (10 11 1 :DOWN) (12 15 1) (15 13 2) (15 14 1) (15 16 1)) ((14 15 1) (13 15 1) (12 14 1) (11 13 1) (10 12 1) (10 11 1) (15 9 1 :UP) (14 8 1 :UP) (13 7 1 :DOWN) (6 16 1) (12 6 1 :UP) (11 5 1 :UP) (10 4 1 :DOWN) (3 16 2) (2 16 1) (1 16 1))
STRUCTURE-ATOMS (C C O C O C O C O C O O O O P O) (O O O O O O O O O C C C C C C P)
CIS-3-HEXENOL (3Z)-hex-3-en-ol DISPLAY-COORDS-2D ((16067 2347) (23212 -1778) (30357 2347) (38607 2347) (45751 -1778) (52896 2347) (60041 -1778)) ((37935 -2063) (45080 2063) (30790 2063) (52224 -2063) (23645 -2063) (59370 2063) (16500 2063))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 2) (4 5 1) (5 6 1) (6 7 1)) ((1 2 2) (1 3 1) (2 4 1) (3 5 1) (4 6 1) (5 7 1))
5-10-METHENYL-THF 5,10-methenyltetrahydrofolate ATOM-CHARGES ((33 1) (7 -1) (6 -1)) ((33 1))
DISPLAY-COORDS-2D ((617 0) (90936 -58543) (89464 -15740) (73875 -17797) (14448 -25742) (103439 -51040) (102408 -23240) (29006 -30593) (62548 -23682) (62548 -37950) (54454 -23682) (54011 -37950) (90493 -43979) (94170 -37214) (35921 -5149) (42249 -17354) (14448 -881) (29006 -881) (82406 -30593) (94906 -51040) (93876 -23240) (73875 -26473) (7532 -5149) (66368 -31035) (50041 -30593) (21946 -5149) (21946 -13089) (14448 -17061) (89907 -30593) (35921 -13089) (42249 -30593) (7532 -13089) (29006 -17061)) ((616 0) (90741 -58418) (89272 -15706) (73717 -17759) (14417 -25687) (103217 -50931) (102189 -23190) (28944 -30527) (62414 -23631) (62414 -37869) (54337 -23631) (53895 -37869) (90299 -43885) (93968 -37134) (35844 -5138) (42158 -17317) (14417 -879) (28944 -879) (82229 -30527) (94703 -50931) (93675 -23190) (73717 -26416) (7516 -5138) (66226 -30968) (49934 -30527) (21899 -5138) (21899 -13061) (14417 -17024) (89714 -30527) (35844 -13061) (42158 -30527) (7516 -13061) (28944 -17024))
2-HYDROXY-2-METHYLPROPANENITRILE acetone cyanohydrin DISPLAY-COORDS-2D ((23644 -553) (30789 3572) (16500 -4678) (27769 -7697) (19519 6592) (37934 7697)) ((23645 -553) (30790 3572) (16500 -4678) (27770 -7697) (19520 6592) (37935 7697))
STRUCTURE-BONDS ((1 2 1 :UP) (1 3 1 :UP) (1 4 1 :DOWN) (1 5 1 :DOWN) (2 6 3)) ((1 2 1) (1 3 1) (1 4 1) (1 5 1) (2 6 3))
PHOSPHORIBOSYL-FORMIMINO-AICAR-P 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide ATOM-CHARGES ((37 -1) (36 -1) (21 -1) (20 -1)) ((34 -1) (29 -1) (11 -1) (7 -1))
DISPLAY-COORDS-2D ((9810 3073) (8527 3490) (9333 3759) (9333 2417) (8527 2685) (9571 1641) (10376 1462) (9034 1015) (7586 3978) (7331 4742) (7963 5443) (6482 4741) (6010 5401) (6238 3968) (6936 3478) (5422 3813) (4844 4371) (4117 4404) (4105 5200) (3449 4382) (4382 3699) (7871 2208) (7126 2536) (6469 2059) (5223 2170) (4966 2953) (5632 3373) (4156 2963) (3669 3634) (3873 2186) (4519 1710) (3086 1958) (2304 2386) (1475 2420) (1464 3387) (509 2402) (1493 1569)) ((272320 -256000) (-148080 -117960) (-355140 55220) (368940 -53960) (-183220 55220) (210820 200790) (-439220 55220) (437960 89100) (155610 121730) (437960 10040) (1250 -342590) (11290 10040) (239690 121730) (-355140 139300) (368940 -313730) (-276080 55220) (293650 89100) (-87840 62750) (-27610 -66510) (82820 -258510) (212080 -387770) (141800 10040) (75290 -62750) (175690 -258510) (293650 10040) (332550 -439220) (332550 -387770) (1250 -174430) (-355140 -28860) (-27610 -117960) (214590 -65260) (212080 -439220) (175690 -313730) (-82820 -258510) (1250 -258510) (-148080 -66510) (-183220 10040))
STRUCTURE-BONDS ((3 1 2) (4 1 1) (3 2 1) (5 2 1) (9 2 1 :UP) (5 4 2) (6 4 1) (22 5 1) (7 6 2) (8 6 1) (10 9 1) (15 9 1) (10 11 1 :DOWN) (12 10 1) (12 13 1 :DOWN) (14 12 1) (15 14 1) (14 16 1 :UP) (17 16 1) (18 17 1) (20 18 1) (21 18 1) (19 18 2) (23 22 2) (24 23 1) (25 24 1 :UP) (26 25 1) (31 25 1) (26 27 1 :DOWN) (28 26 1) (28 29 1 :DOWN) (30 28 1) (31 30 1) (30 32 1 :UP) (33 32 1) (34 33 1) (36 34 1) (37 34 1) (35 34 2)) ((37 18 1) (37 36 1) (36 19 1) (35 20 1) (34 35 1) (33 1 1) (33 21 1) (31 25 1) (30 19 1) (29 3 1) (28 35 2) (27 26 1) (25 4 1) (24 33 1) (23 22 1) (22 31 2) (21 27 1) (21 32 1) (20 24 1) (18 12 1) (17 25 2) (16 5 1) (15 4 1) (15 27 1) (14 3 2) (13 17 1) (12 19 1) (12 23 1) (11 35 1) (10 8 2) (9 13 2) (8 17 1) (7 3 1) (6 13 1) (5 37 1) (4 10 1) (3 16 1) (2 36 1) (1 15 1))
STRUCTURE-ATOMS (N N C C C C O N C C O C O C O C O P O O O N C N C C O C O C O C O P O O O) (O O P N C N O N O C O C C O C O C O C O C C N C C O C O O O N O C O P C C)
PHOSPHORIBULOSYL-FORMIMINO-AICAR-P phosphoribulosylformimino-AICAR-P ATOM-CHARGES ((36 -1) (35 -1) (25 -1) (24 -1)) ((26 -1) (12 -1) (10 1) (7 -1) (6 -1))
DISPLAY-COORDS-2D ((1292 1753) (1235 1825) (1375 1753) (1267 1674) (1168 1777) (1210 1904) (1400 1674) (1423 1819) (1333 1626) (1102 1825) (1127 1904) (1258 1971) (1478 1648) (1505 1819) (1024 1800) (1078 1971) (1540 1703) (1495 1567) (1552 1901) (1007 1719) (1511 1972) (924 1719) (1551 2044) (842 1719) (924 1636) (924 1801) (1510 2115) (1634 2044) (1551 2186) (1427 2114) (1509 2258) (1633 2187) (1550 2329) (1632 2329) (1714 2329) (1632 2246) (1632 2411)) ((17592 -2338) (-3300 6186) (27627 10857) (32986 5912) (-39586 6186) (3160 -38344) (-39586 -10723) (-10583 -11131) (33399 17044) (25154 -9895) (40822 -35458) (-5359 -29965) (36973 -43020) (-3300 -2338) (40822 -9895) (36973 -48105) (-32437 -2338) (-25015 -2338) (3160 -21440) (-10444 -2338) (24740 -48105) (24740 -43020) (20892 -29965) (47965 -2338) (47965 5912) (-48105 -2338) (19102 10857) (-17866 -10997) (3160 -29965) (11406 -29965) (31061 -29551) (20892 -35458) (10723 -9895) (4123 -2338) (-39586 -2338) (-17731 -2338) (32986 -2338))
STRUCTURE-BONDS ((2 1 1 :UP) (1 3 1) (1 4 1) (2 5 1) (2 6 1) (3 7 2) (3 8 1) (4 9 2) (5 10 1) (6 11 1) (6 12 1 :DOWN) (7 13 1) (8 14 1) (10 15 1 :UP) (11 16 1 :DOWN) (13 17 1) (13 18 2) (14 19 2) (15 20 1) (19 21 1) (20 22 1) (21 23 1) (22 24 1) (22 25 1) (22 26 2) (23 27 1) (23 28 2) (27 29 1) (27 30 1 :UP) (29 31 1) (29 32 1 :DOWN) (31 33 1) (33 34 1) (34 35 1) (34 36 1) (34 37 2) (7 9 1) (10 11 1)) ((37 4 2) (36 20 1) (36 28 1) (35 17 1) (34 33 1) (34 14 1) (33 1 1) (32 22 1) (32 31 1) (31 11 1) (30 23 1) (29 30 1) (27 3 2) (26 35 1) (25 24 2) (24 15 1) (23 32 1) (22 21 1) (22 13 1) (20 14 1) (19 29 2) (18 36 1) (17 18 1) (15 37 1) (13 16 1) (12 29 1) (11 13 1) (11 15 1) (10 37 1) (9 3 1) (8 20 1) (7 35 1) (6 29 1) (5 35 2) (4 25 1) (3 4 1) (2 14 2) (1 10 2))
STRUCTURE-ATOMS (N C C C O C C N N C C O C C C O N O N O C P C O O O C O C O C O O P O O O) (C O C C O O O O N N C O C C N O O C O C O C C C N O O O P O O C N C P C C)
AICAR aminoimidazole carboxamide ribonucleotide ATOM-CHARGES ((16 -1) (15 -1)) ((22 -1) (14 -1))
DISPLAY-COORDS-2D ((412080 269580) (403330 397080) (478330 220830) (453330 142920) (370420 142920) (377920 475830) (345420 220830) (336670 349170) (33080 350980) (269580 397080) (295420 475830) (501670 75830) (198080 350980) (115580 350980) (32670 433480) (-49420 350570) (32670 268480) (549580 262080) (468330 830) (427080 543330) (583330 84580) (245830 544170)) ((-367 15950) (6692 -9441) (-4583 -15766) (-367 -29241) (-4583 -10450) (17783 4583) (13292 -24291) (10083 16866) (17783 -14483) (-367 -24291) (-13108 -10450) (6233 29150) (23466 12466) (-20991 -18425) (10083 8617) (6233 20900) (-20991 -10450) (17600 20075) (2383 5592) (13292 -29241) (-20991 -1925) (-29241 -10450))
STRUCTURE-BONDS ((2 1 1) (3 1 1) (4 3 2) (5 7 2) (6 2 1) (7 1 1) (8 2 1) (9 14 1) (10 8 1) (11 6 1) (12 4 1) (10 13 1 :UP) (14 13 1) (15 9 1) (16 9 1) (17 9 2) (18 3 1) (19 12 2) (6 20 1 :DOWN) (21 12 1) (11 22 1 :DOWN) (4 5 1) (10 11 1)) ((22 17 1) (21 17 2) (20 7 1) (19 15 1) (18 13 2) (17 11 1) (16 8 1) (6 15 1) (14 17 1) (13 6 1) (12 16 2) (11 5 1) (10 7 1) (9 7 1) (9 6 1) (8 18 1) (15 8 2) (5 3 1) (4 10 1) (3 10 1) (3 2 1) (2 9 1) (1 16 1))
STRUCTURE-ATOMS (N C C C N C C O P C C C C O O O O N O O N O) (N O C O C N C C C C O O C O C C P N N O O O)
DEHYDROSPHINGANINE 3-dehydrosphinganine ATOM-CHARGES (2 1) (18 1)
DISPLAY-COORDS-2D ((0 -1244) (11474 -2072) (12916 -1244) (10761 0) (713 -829) (1426 -1244) (2139 -829) (2868 -1244) (3581 -829) (4294 -1244) (5024 -829) (5737 -1244) (6450 -829) (7163 -1244) (7892 -829) (8606 -1244) (9318 -829) (12204 -829) (10048 -1244) (11474 -1244) (10761 -829)) ((35858 -52885) (14624 -57493) (-27645 -58495) (58495 -57092) (-58695 -54688) (-49079 -54688) (43070 -56892) (-41667 -58695) (28847 -57092) (-6611 -53887) (601 -57894) (-49079 -41667) (7412 -53486) (21635 -53286) (49881 -52885) (-34856 -54488) (-58695 -27445) (-58695 -41667) (-49079 -27445) (-13422 -58294) (-20634 -54087))
STRUCTURE-BONDS ((20 21 1) (19 21 1) (18 20 1) (17 19 1) (16 17 1) (15 16 1) (14 15 1) (13 14 1) (12 13 1) (11 12 1) (10 11 1) (9 10 1) (8 9 1) (7 8 1) (6 7 1) (5 6 1) (4 21 2) (3 18 1) (2 20 1) (1 5 1)) ((21 3 1) (20 21 1) (19 17 1) (18 12 1) (16 8 1) (15 7 1) (14 2 1) (13 11 1) (12 19 1) (11 10 1) (10 20 1) (9 14 1) (8 6 1) (7 1 1) (6 5 2) (6 12 1) (4 15 1) (3 16 1) (2 13 1) (1 9 1))
STRUCTURE-ATOMS (C N O O C C C C C C C C C C C C C C C C C) (C C C C O C C C C C C C C C C C O N C C C)
HOMO-SER L-homoserine ATOM-CHARGES ((8 1) (6 -1)) NIL
DISPLAY-COORDS-2D ((-5248 1093) (1897 5218) (9042 1093) (16187 5218) (23331 1093) (30476 5218) (23331 -7157) (16187 13469)) ((-5248 1093) (1897 5218) (9042 1093) (16186 5218) (23330 1093) (30475 5218) (23330 -7157) (16186 13468))
O-PHOSPHO-L-HOMOSERINE O-phospho-L-homoserine ATOM-CHARGES ((12 1) (11 -1) (9 -1) (1 -1)) ((8 -1) (7 1) (2 -1) (1 -1))
DISPLAY-COORDS-2D ((-426910 -1400) (-355460 -42650) (-284020 -1400) (-212580 -42650) (-141130 -1400) (-69680 -42650) (-355460 -125150) (12820 -42650) (95320 -42650) (12820 39850) (12820 -125150) (-284020 81100)) ((2900 34480) (-166610 -200130) (2900 116980) (-69290 116980) (-84760 -117630) (-166610 -117630) (-84110 -33840) (85400 116980) (2900 199480) (-163390 116980) (-200130 37710) (-166610 -33840))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (2 7 2) (6 8 1) (8 9 1) (8 10 2) (8 11 1) (3 12 1 :DOWN)) ((12 11 1) (11 10 1) (10 4 1) (9 3 2) (8 3 1) (7 12 1) (6 12 1) (5 6 2) (4 3 1) (2 6 1) (1 3 1))
STRUCTURE-ATOMS (O C C C C O O P O O O N) (O O P O O C N O O C C C)
ADENOSYL-HOMO-CYS S-adenosyl-L-homocysteine ATOM-CHARGES ((26 -1) (21 1)) ((4 -1) (2 1))
DISPLAY-COORDS-2D ((188550 -312230) (-3010 -486070) (228680 -369670) (82050 -519000) (104570 -314380) (197880 -438090) (125360 -448780) (80700 -384850) (3750 -393090) (256210 -496430) (-37500 -321640) (-104240 -370130) (-170990 -321640) (-145500 -243180) (-62990 -243180) (-229330 -379980) (-21740 -171730) (-186750 -171730) (-309020 -401330) (-309020 -483830) (-309020 -648830) (-237570 -525080) (-237570 -607580) (-166120 -648830) (-166120 -731330) (-94680 -607580)) ((4720 0) (1451 4964) (718 2933) (0 4155) (4858 5407) (5942 5407) (3941 2154) (6920 1710) (2841 4140) (2138 3758) (4506 3727) (3941 1268) (4766 2627) (6278 871) (5377 3712) (3544 3727) (718 3758) (4720 825) (5468 1237) (5468 2123) (1451 4140) (6293 2551) (4506 4216) (4858 4919) (5942 4919) (6293 4216))
STRUCTURE-BONDS ((9 8 1) (8 7 2) (7 6 1) (5 8 1) (7 4 1) (6 3 2) (2 9 1) (4 2 2) (1 5 2) (3 1 1) (6 10 1) (11 9 1 :UP) (15 11 1) (12 11 1) (12 13 1) (13 14 1) (14 15 1) (13 16 1 :UP) (15 17 1 :DOWN) (14 18 1 :DOWN) (16 19 1) (19 20 1) (20 22 1) (22 23 1) (21 23 1) (23 24 1) (24 25 2) (24 26 1)) ((25 26 1) (24 25 1) (23 24 1) (26 22 1 :UP) (20 22 1) (20 19 2) (19 18 1) (17 21 1) (15 26 1) (15 23 1) (14 19 1) (13 20 1) (18 12 2) (23 11 1 :UP) (11 16 1) (10 21 1) (9 16 1) (9 10 1) (8 22 1) (8 14 2) (7 13 2) (12 7 1) (25 6 1 :DOWN) (24 5 1 :DOWN) (4 17 1) (3 17 2) (21 2 1 :DOWN) (1 18 1))
STRUCTURE-ATOMS (C C N N N C C C N N C O C C C C O O S C N C C C O O) (N N O O O O C C C C C N N N O S C C C C C N C C C C)
L-GAMMA-GLUTAMYLCYSTEINE L-γ-glutamylcysteine ATOM-CHARGES ((15 -1) (8 1) (3 -1)) ((12 -1) (9 1) (3 -1))
DISPLAY-COORDS-2D ((-1788 -2401) (349 -1185) (-3226 -2412) (1756 -2010) (-2507 -2010) (1756 -1047) (-1058 -2010) (-1788 -3226) (-2507 -1185) (1069 -2401) (-370 -2401) (349 -2010) (2486 -2401) (3216 -2010) (2470 -634) (1042 -634)) ((-1788 -2401) (349 -1185) (-3226 -2412) (1756 -2010) (2507 -1407) (-2507 -2010) (1756 -1047) (-1058 -2010) (-1788 -3226) (-2507 -1185) (1069 -2401) (2274 -413) (-370 -2401) (349 -2010) (2486 -2401) (3216 -2010))
STRUCTURE-BONDS ((14 13 1) (13 4 1) (12 10 1) (11 12 1) (10 4 1) (9 5 2) (8 1 1) (7 11 1) (6 4 1) (5 1 1) (3 5 1) (2 12 2) (1 7 1) (6 15 1) (6 16 2)) ((16 15 1) (15 4 1) (14 11 1) (13 14 1) (12 7 1) (11 4 1) (10 6 2) (9 1 1) (8 13 1) (7 4 1) (6 1 1) (5 7 2) (3 6 1) (2 14 2) (1 8 1))
STRUCTURE-ATOMS (C O O C C C C N O N C C C S O O) (C O O C O C C C N O N O C C C S)
D-ALANINE D-alanine DISPLAY-COORDS-2D ((-3576 -2080) (3553 2068) (-10708 2068) (-3542 -10273) (10685 -2080) (3553 10330)) ((3565 2091) (-3565 -2057) (10697 -2057) (3531 10285) (-10697 2091) (-3565 -10319))
HIS L-histidine DISPLAY-COORDS-2D ((1371 977) (1442 936) (1516 977) (1587 936) (1516 1060) (1657 977) (1587 851) (1304 929) (1345 1055) (1263 1055) (1237 977)) ((1513 981) (1441 940) (1367 981) (1296 940) (1367 1065) (1225 981) (1296 855) (1580 933) (1539 1060) (1621 1060) (1647 981))
STRUCTURE-BONDS ((4 7 2) (4 6 1) (3 5 1 :UP) (3 4 1) (2 3 1) (1 2 1) (8 1 1) (1 9 2) (9 10 1) (10 11 1) (8 11 2)) ((4 7 2) (4 6 1) (5 3 1 :DOWN) (3 4 1) (2 3 1) (1 2 1) (8 1 1) (1 9 2) (9 10 1) (10 11 1) (8 11 2))
LYS L-lysine DISPLAY-COORDS-2D ((1567 1148) (1495 1108) (1635 1104) (1564 1231) (1423 1150) (1707 1144) (1637 1021) (1351 1110) (1280 1152) (1208 1112)) ((1404 1146) (1476 1106) (1336 1102) (1407 1229) (1548 1148) (1265 1142) (1334 1019) (1620 1108) (1691 1150) (1763 1110))
STRUCTURE-BONDS ((1 2 1) (1 3 1) (1 4 1 :UP) (2 5 1) (3 6 1) (3 7 2) (5 8 1) (8 9 1) (9 10 1)) ((1 2 1) (1 3 1) (4 1 1 :DOWN) (2 5 1) (3 6 1) (3 7 2) (5 8 1) (8 9 1) (9 10 1))
ARG L-arginine DISPLAY-COORDS-2D ((-6008 -1408) (1064 2816) (-13251 2610) (8272 -1202) (-19981 -1785) (-12977 10848) (15380 2987) (-27189 2231) (-20256 -10058) (22591 -996) (29661 3193) (22693 -9268)) ((-6008 -1408) (1064 2816) (-13252 2610) (8273 -1202) (-19982 -1785) (-12978 10849) (15381 2987) (-27191 2231) (-20257 -10059) (22592 -996) (29663 3193) (22694 -9269))
STRUCTURE-BONDS ((1 2 1) (1 3 1) (2 4 1) (3 5 1) (3 6 1 :DOWN) (4 7 1) (5 8 1) (5 9 2) (7 10 1) (10 11 1) (10 12 2)) ((1 2 1) (1 3 1) (2 4 1) (3 5 1) (6 3 1 :DOWN) (4 7 1) (5 8 1) (5 9 2) (7 10 1) (10 11 1) (10 12 2))
THR L-threonine DISPLAY-COORDS-2D ((1614 1076) (1542 1036) (1470 1076) (1400 1036) (1328 1076) (1542 953) (1470 1159) (1400 953)) ((1325 1074) (1397 1034) (1469 1074) (1539 1034) (1611 1074) (1397 951) (1469 1157) (1539 951))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (2 6 2) (3 7 1 :UP) (4 8 1 :UP)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (2 6 2) (3 7 1 :DOWN) (4 8 1 :UP))
GLN L-glutamine DISPLAY-COORDS-2D ((1405 1029) (1475 985) (1333 990) (1407 1111) (1548 1024) (1264 1037) (1334 908) (1618 981) (1690 1020) (1619 898)) ((1410 1032) (1480 988) (1337 993) (1412 1115) (1553 1027) (1268 1040) (1338 911) (1623 984) (1695 1023) (1624 901))
STRUCTURE-BONDS ((1 2 1) (1 3 1) (1 4 1 :DOWN) (2 5 1) (3 6 1) (3 7 2) (5 8 1) (8 9 1) (8 10 2)) ((1 2 1) (1 3 1) (4 1 1 :DOWN) (2 5 1) (3 6 1) (3 7 2) (5 8 1) (8 9 1) (8 10 2))
ASN L-asparagine STRUCTURE-BONDS ((1 2 1) (1 3 1) (1 4 1 :DOWN) (2 5 1) (3 6 1) (3 7 2) (5 8 1) (5 9 2)) ((1 2 1) (1 3 1) (4 1 1 :DOWN) (2 5 1) (3 6 1) (3 7 2) (5 8 1) (5 9 2))
TYR L-tyrosine DISPLAY-COORDS-2D ((10298 -1530) (18086 -4318) (4041 -6936) (10298 6597) (24752 442) (18255 -11765) (-3065 -2789) (-3065 5440) (-10206 -6936) (-10206 9555) (-17381 -2789) (-17381 5440) (-24456 9521)) ((-10302 -1530) (-18090 -4318) (-4046 -6936) (-10302 6597) (-24756 442) (-18259 -11765) (3060 -2789) (3060 5440) (10201 -6936) (10201 9555) (17376 -2789) (17376 5440) (24451 9521))
STRUCTURE-BONDS ((11 12 2) (12 13 1) (12 10 1) (9 11 1) (10 8 2) (7 9 2) (8 7 1) (3 7 1) (2 6 2) (2 5 1) (1 4 1 :UP) (1 3 1) (1 2 1)) ((11 12 2) (12 13 1) (12 10 1) (9 11 1) (10 8 2) (7 9 2) (8 7 1) (3 7 1) (2 6 2) (2 5 1) (1 4 1 :DOWN) (1 3 1) (1 2 1))
GLT L-glutamate DISPLAY-COORDS-2D ((1537 1031) (1467 987) (1608 992) (1535 1114) (1393 1026) (1678 1039) (1607 910) (1323 983) (1251 1022) (1322 900)) ((1405 1029) (1475 985) (1333 990) (1407 1111) (1548 1024) (1263 1037) (1334 908) (1618 981) (1690 1020) (1619 898))
STRUCTURE-BONDS ((1 2 1) (1 3 1) (1 4 1 :UP) (2 5 1) (3 6 1) (3 7 2) (5 8 1) (8 9 1) (8 10 2)) ((1 2 1) (1 3 1) (1 4 1 :DOWN) (2 5 1) (3 6 1) (3 7 2) (5 8 1) (8 9 1) (8 10 2))
TRP L-tryptophan ATOM-CHARGES ((14 1) (12 -1)) ((3 -1) (1 1))
DISPLAY-COORDS-2D ((320 26250) (-8300 108300) (-89000 125450) (-130250 54010) (-75050 -7300) (-100540 -85760) (-210950 36850) (-236440 -41610) (-181240 -102920) (214660 -97500) (214660 -15000) (286110 26250) (143210 26250) (143210 108750) (71770 -15000)) ((4093 -3306) (2629 -4061) (1894 -2818) (0 -1692) (0 -892) (696 -2128) (696 -449) (2648 -944) (3377 -2043) (2629 -3215) (2648 -1653) (1451 -1653) (1451 -944) (3377 -2857) (2050 -514))
STRUCTURE-BONDS ((1 2 2) (1 5 1) (2 3 1) (3 4 1) (4 5 2) (4 7 1) (5 6 1) (6 9 2) (7 8 2) (8 9 1) (11 10 2) (12 11 1) (13 11 1) (13 14 1 :UP) (15 13 1) (1 15 1)) ((14 1 1 :UP) (2 10 2) (3 10 1) (4 5 2) (6 4 1) (5 7 1) (12 6 2) (7 13 2) (11 8 2) (8 15 1) (9 11 1) (14 9 1) (10 14 1) (12 11 1) (13 12 1) (15 13 1))
STRUCTURE-ATOMS (C C N C C C C C C O C O C N C) (N O O C C C C C C C C C C C N)
CYS L-cysteine DISPLAY-COORDS-2D ((16467 -570) (9207 -21079) (1997 -8830) (30756 -8830) (23547 -12820) (9207 -12820) (16467 -8830)) ((1429 -2051) (2155 0) (2876 -1225) (0 -1225) (721 -826) (2155 -826) (1429 -1225))
STRUCTURE-BONDS ((7 1 1 :DOWN) (2 6 2) (3 6 1) (4 5 1) (5 7 1) (6 7 1)) ((1 7 1 :DOWN) (2 6 2) (3 6 1) (4 5 1) (5 7 1) (6 7 1))
PHE L-phenylalanine DISPLAY-COORDS-2D ((1421 1138) (1421 1222) (1348 1263) (1277 1222) (1277 1138) (1348 1097) (1492 1097) (1562 1137) (1634 1097) (1703 1137) (1634 1013) (1562 1222)) ((1523 1136) (1523 1220) (1596 1261) (1667 1220) (1667 1136) (1596 1095) (1452 1095) (1382 1135) (1310 1095) (1241 1135) (1310 1011) (1382 1220))
STRUCTURE-BONDS ((2 1 2) (3 2 1) (4 3 2) (5 4 1) (6 5 2) (1 6 1) (1 7 1) (7 8 1) (8 9 1) (9 10 1) (9 11 2) (8 12 1 :UP)) ((2 1 2) (3 2 1) (4 3 2) (5 4 1) (6 5 2) (1 6 1) (1 7 1) (7 8 1) (8 9 1) (9 10 1) (9 11 2) (8 12 1 :DOWN))
ILE L-isoleucine ATOM-CHARGES ((9 1) (6 -1)) ((6 -1))
DISPLAY-COORDS-2D ((1404 939) (1331 897) (1475 897) (1260 939) (1331 815) (1547 939) (1475 815) (1187 897) (1404 1022)) ((1395 933) (1323 892) (1466 892) (1252 933) (1323 810) (1538 933) (1466 810) (1180 892) (1395 1016))
BENZYL-DESULFOGLUCOSINOLATE benzyl-desulfoglucosinolate DISPLAY-COORDS-2D ((678 -1256) (4285 -4136) (4288 -825) (2859 0) (4288 -2475) (0 -3279) (0 -4104) (714 -2866) (714 -4516) (1429 -3279) (1407 -869) (2143 -4516) (3574 -4555) (2145 -2062) (2859 -3300) (2870 -4125) (1429 -4104) (3574 -1238) (2859 -825) (3574 -2062) (2145 -1238) (2859 -2475)) ((1938 -3241) (1244 -1244) (1447 -3265) (-2141 -1950) (-3576 -2775) (-2858 -1543) (-706 -1950) (3157 -2775) (1854 -2488) (3564 -2464) (-3576 -1950) (-2858 -3193) (658 -2201) (658 -1567) (1076 -3576) (2535 -2834) (-2141 -2775) (1184 -2619) (3014 -3337) (1854 -1591) (3074 -2249) (2428 -2045))
STRUCTURE-BONDS ((20 22 1) (19 21 1) (18 20 1) (18 19 1) (22 15 1 :UP) (15 16 1) (14 22 1) (14 21 1) (13 16 2) (12 17 1) (12 16 1) (21 11 1 :UP) (17 10 2) (9 17 1) (10 8 1) (7 9 2) (8 6 2) (6 7 1) (20 5 1 :DOWN) (19 4 1 :DOWN) (18 3 1 :UP) (2 13 1) (1 11 1)) ((22 21 1) (22 9 1) (22 8 1) (18 9 1) (17 12 2) (16 19 1) (16 1 1) (14 2 2) (14 13 1) (13 18 1) (12 5 1) (11 6 1) (8 10 1) (8 16 1) (7 4 1) (7 14 1) (6 4 2) (5 11 2) (4 17 1) (3 15 1) (2 20 1) (1 3 1) (1 18 1))
STRUCTURE-ATOMS (O O O O O C C C C C C C N O S C C C C C C C) (C N C C C C C C O O C C S C O C C C O O O C)
CPD-1862 indolylmethyl-desulfoglucosinolate DISPLAY-COORDS-2D ((380720 -125810) (452430 -248930) (380720 -290880) (164240 -248930) (452430 -166430) (237310 -290880) (309010 -248930) (309010 -166430) (164240 -166430) (92800 -125180) (21350 -166430) (21350 -248930) (79690 -307270) (-50100 -125180) (-50100 -42680) (-121540 -1430) (-121540 81070) (-50100 122320) (21350 81070) (21350 -1430) (92800 122320) (164240 81070) (-50100 204820) (-192990 122320) (-192990 -42680)) ((30849 -19619) (-28683 -12581) (14478 -29902) (35718 -21781) (19483 -29630) (24352 -17590) (10824 -33014) (-35854 -24893) (25435 -25571) (30171 -30576) (-28683 -29088) (31659 -24893) (11907 -23405) (-1219 -10688) (-7035 -24893) (6629 -12854) (-35854 -16643) (-14342 -29088) (18537 -13123) (-21512 -24893) (6629 -19211) (18537 -22054) (12449 -9605) (-21512 -16643) (-7035 -16643))
STRUCTURE-BONDS ((9 8 1) (8 7 2) (7 6 1) (7 3 1) (6 4 1) (5 1 2) (4 9 2) (3 2 2) (2 5 1) (1 8 1) (9 10 1) (10 11 1) (11 12 2) (12 13 1) (11 14 1) (15 14 1 :DOWN) (15 16 1) (15 20 1) (16 17 1) (17 18 1) (18 19 1) (19 20 1) (19 21 1 :DOWN) (21 22 1) (18 23 1 :UP) (17 24 1 :DOWN) (16 25 1 :UP)) ((25 14 1) (25 24 1) (24 20 2) (23 19 1) (21 13 1) (20 18 1) (20 11 1) (18 15 1) (17 2 2) (16 23 2) (16 21 1) (15 25 2) (14 16 1) (13 22 1) (12 4 1) (12 9 1) (11 8 2) (9 10 1) (9 5 1) (8 17 1) (6 1 1) (6 22 1) (6 12 1) (5 3 1) (5 13 1) (3 7 1) (2 24 1))
STRUCTURE-ATOMS (C C C C C N C C C C C N O S C C C C C O C O O O O) (O C C O C C O C C O C C C C C C C N O C S O N C C)
CPD-8134 24-epi-campesterol DISPLAY-COORDS-2D ((3092 1789) (2297 2008) (2089 2806) (1709 1428) (1918 630) (914 1647) (327 1068) (-543 1428) (-1082 804) (-813 2207) (-341 2884) (-839 3542) (-1619 3271) (-1603 2447) (-2309 2020) (-3031 2418) (-3048 3243) (-2341 3670) (-2358 4494) (-3080 4892) (-3786 4466) (-3770 3642) (-4476 3215) (-5198 3613) (-5214 4438) (-4508 4864) (-5937 4836) (-3754 2817) (-1530 1628)) ((24287 -5977) (16185 -4422) (10787 -10660) (13481 3373) (18880 9612) (5379 4928) (2675 12722) (-5427 14278) (-10825 8039) (-8131 22072) (-3414 28841) (-8394 35418) (-16189 32714) (-16026 24466) (-23087 20201) (-30312 24184) (-30475 32432) (-23413 36697) (-23577 44946) (-30801 48929) (-37863 44663) (-37700 36415) (-44762 32150) (-51987 36133) (-52150 44381) (-45088 48646) (-59375 48364) (-37537 28167) (-15296 16280))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (2 4 1) (4 5 1 :DOWN) (4 6 1) (6 7 1) (7 8 1) (8 9 1 :DOWN) (8 10 1) (10 11 1) (11 12 1) (13 12 1) (13 14 1) (10 14 1) (14 15 1) (15 16 1) (17 16 1 :UP) (17 18 1) (13 18 1) (18 19 1 :DOWN) (19 20 1) (20 21 2) (21 22 1) (17 22 1) (22 23 1) (23 24 1) (24 25 1) (25 26 1) (21 26 1) (25 27 1 :UP) (22 28 1 :UP) (14 29 1 :UP)) ((1 2 1) (2 3 1) (2 4 1) (4 5 1 :DOWN) (4 6 1) (6 7 1) (7 8 1) (8 9 1 :DOWN) (8 10 1) (10 11 1 :UP) (11 12 1) (13 12 1 :UP) (13 14 1) (10 14 1) (14 15 1) (15 16 1) (17 16 1 :UP) (17 18 1) (13 18 1) (18 19 1 :DOWN) (19 20 1) (20 21 2) (21 22 1) (17 22 1) (22 23 1) (23 24 1) (24 25 1) (25 26 1) (21 26 1) (25 27 1 :UP) (22 28 1 :UP) (14 29 1 :UP))
CHOLESTEROL cholesterol DISPLAY-COORDS-2D ((7778 -1815) (8851 -2759) (4790 -4131) (2143 -2062) (4286 -3300) (0 0) (2858 0) (6688 -3054) (3572 -412) (7497 -3216) (6144 -3674) (714 -1238) (5556 -2062) (5071 -1395) (2858 -2475) (1429 -1650) (3572 -2888) (1429 0) (2143 -412) (8042 -2597) (714 -412) (5335 -3512) (3572 -1238) (2858 -1650) (5071 -2730) (4286 -1650) (2143 -1238) (4286 -2475) (2858 -825) (4372 -829) (3572 -2063) (5869 -2939)) ((7779 -1815) (8852 -2759) (4790 -4131) (2143 -2062) (4286 -3300) (0 0) (2858 0) (6689 -3054) (3572 -412) (7498 -3216) (6144 -3674) (714 -1238) (5556 -2062) (5071 -1395) (2858 -2475) (1429 -1650) (3572 -2888) (1429 0) (2143 -412) (8043 -2597) (714 -412) (5335 -3512) (3572 -1238) (2858 -1650) (5071 -2730) (4286 -1650) (2143 -1238) (4286 -2475))
STRUCTURE-BONDS ((26 28 1) (25 28 1) (24 27 1) (23 26 1) (23 24 1) (22 25 1) (19 27 1) (18 21 1) (18 19 1) (17 28 1) (16 27 1) (15 24 1) (15 17 1) (14 26 1) (13 25 1) (13 14 1) (12 21 1) (12 16 1) (11 22 1) (10 20 1) (9 23 1) (8 11 1) (8 10 1) (7 19 2) (7 9 1) (21 6 1 :UP) (28 5 1 :UP) (27 4 1 :UP) (22 3 1 :DOWN) (2 20 1) (1 20 1) (24 29 1 :DOWN) (26 30 1 :DOWN) (23 31 1 :UP) (25 32 1 :DOWN)) ((26 28 1) (25 28 1) (24 27 1) (23 26 1) (23 24 1) (22 25 1) (19 27 1) (18 21 1) (18 19 1) (17 28 1) (16 27 1) (15 24 1) (15 17 1) (14 26 1) (13 25 1) (13 14 1) (12 21 1) (12 16 1) (11 22 1) (10 20 1) (9 23 1) (8 11 1) (8 10 1) (7 19 2) (7 9 1) (21 6 1 :UP) (28 5 1 :UP) (27 4 1 :UP) (22 3 1 :DOWN) (2 20 1) (1 20 1))
STRUCTURE-ATOMS (C C C C C O C C C C C C C C C C C C C C C C C C C C C C H H H H) (C C C C C O C C C C C C C C C C C C C C C C C C C C C C)
CPD-12928 4α-carboxy-5α-cholesta-7,24-dien-3β-ol ATOM-CHARGES (31 -1) NIL
5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL 5α-cholesta-7,24-dien-3β-ol DISPLAY-COORDS-2D ((8851 -2803) (7789 -1847) (2143 -2062) (4287 -3300) (0 0) (7492 -3245) (3572 -412) (6685 -3073) (2858 0) (6133 -3686) (714 -1238) (5071 -1395) (5556 -2062) (2858 -2475) (1429 -1650) (3572 -2888) (1429 0) (8044 -2632) (3572 -1238) (714 -412) (5327 -3514) (2143 -412) (4287 -1650) (2858 -1650) (5071 -2730) (2143 -1238) (4287 -2475) (4775 -4127)) ((8851 -2803) (7789 -1847) (4774 -4127) (2143 -2062) (4287 -3300) (0 0) (7492 -3245) (3572 -412) (6685 -3073) (2858 0) (6133 -3686) (714 -1238) (5071 -1395) (5556 -2062) (2858 -2475) (1429 -1650) (3572 -2888) (1429 0) (8044 -2632) (3572 -1238) (714 -412) (5327 -3514) (2143 -412) (4287 -1650) (2858 -1650) (5071 -2730) (2143 -1238) (4287 -2475))
STRUCTURE-BONDS ((25 27 1) (24 26 1) (23 27 1) (22 26 1) (21 25 1) (19 24 1) (19 23 1) (17 22 1) (17 20 1) (16 27 1) (15 26 1) (14 24 1) (14 16 1) (13 25 1) (12 23 1) (12 13 1) (11 20 1) (11 15 1) (10 21 1) (9 22 1) (8 10 1) (7 19 2) (7 9 1) (6 18 2) (6 8 1) (20 5 1 :UP) (27 4 1 :UP) (26 3 1 :UP) (2 18 1) (1 18 1) (21 28 1 :DOWN)) ((26 28 1) (25 27 1) (24 28 1) (23 27 1) (22 26 1) (20 25 1) (20 24 1) (18 23 1) (18 21 1) (17 28 1) (16 27 1) (15 25 1) (15 17 1) (14 26 1) (13 24 1) (13 14 1) (12 21 1) (12 16 1) (11 22 1) (10 23 1) (9 11 1) (8 20 2) (8 10 1) (7 19 2) (7 9 1) (21 6 1 :UP) (28 5 1 :UP) (27 4 1 :UP) (3 22 1) (2 19 1) (1 19 1))
STRUCTURE-ATOMS (C C C C O C C C C C C C C C C C C C C C C C C C C C C C) (C C C C C O C C C C C C C C C C C C C C C C C C C C C C)
CPD-12919 4α-carboxy,4β,14α-dimethyl-9β,19-cyclo-5α-cholest-24-en-3β-ol ATOM-CHARGES (33 -1) NIL
LAUROYLCOA-CPD lauroyl-CoA SUPERATOMS COA-GROUP NIL
CPD-10267 decanoyl-CoA SUPERATOMS COA-GROUP NIL
PALMITYL-COA palmitoyl-CoA SUPERATOMS COA-GROUP NIL
ATOM-CHARGES ((37 -1) (28 -1) (22 -1) (20 -1)) ((47 -1) (45 -1) (25 -1) (19 -1))
DISPLAY-COORDS-2D ((79374 56470) (86518 52344) (93663 56469) (86517 44095) (100808 52343) (100807 44094) (107951 39968) (107950 31718) (115094 27593) (115093 19344) (107948 15219) (107947 6969) (100803 2846) (93657 6971) (86512 2847) (79369 6973) (72223 2849) (65079 6974) (26826 104203) (-5211 85243) (29319 118690) (8391 70298) (34637 101549) (42348 114500) (-2055 96749) (45331 93558) (29367 52272) (3150 127207) (5904 81697) (16132 112191) (7927 56366) (41376 106308) (2120 89028) (49928 117755) (20087 99443) (19650 127152) (11427 135430) (776 60481) (37082 93668) (11372 118930) (5599 101936) (1448 74754) (13478 104381) (11400 127180) (-3008 67811) (47985 101371) (56537 112817) (-5495 79211) (9451 92812) (62175 99688) (55566 104626) (24381 112081) (22216 56387) (15077 52251) (22204 64637) (15089 44001) (3812 49215) (12041 63517) (36506 56407) (43656 52293) (50795 56428) (57946 52314) (65084 56449) (72235 52334) (50783 64678)) ((5361 -3255) (5361 5086) (12506 9303) (12506 -7380) (19742 -3255) (19742 5086) (34181 -3255) (26961 -7451) (12483 -15629) (34163 5086) (23920 14485) (-1802 22204) (30741 19419) (28243 27169) (19823 27169) (17204 19298) (9479 16869) (-14964 22353) (-15089 14288) (-23260 22211) (-14975 39815) (-6560 56650) (-14918 56635) (-23716 56677) (-15066 66397) (784 52357) (7928 56480) (15073 52354) (8069 64777) (7617 47770) (22218 56478) (15072 44105) (22219 64728) (29361 52352) (36506 56476) (43650 52350) (50796 56474) (57939 52348) (50797 64723) (65084 56472) (72228 52347) (79374 56470) (33100 33838) (15595 33081) (6953 24677) (6817 33025) (-604 32952) (6755 41321) (86518 52344) (93663 56469) (86517 44095) (100807 52343) (100806 44094) (107950 39968) (107949 31718) (115093 27593) (115092 19344) (107947 15219) (107946 6969) (100802 2846) (93657 6971) (86512 2847) (79369 6973) (72223 2849) (65079 6974))
STRUCTURE-BONDS ((17 18 1) (16 17 1) (15 16 1) (14 15 1) (13 14 1) (12 13 1) (11 12 1) (10 11 1) (9 10 1) (8 9 1) (7 8 1) (6 7 1) (5 6 1) (3 5 1) (2 4 2) (2 3 1) (1 2 1) (64 1 1) (19 23 1 :UP) (19 52 1) (20 33 1) (52 21 1 :DOWN) (22 42 1) (23 39 1) (34 24 2) (25 41 1) (26 46 1) (27 53 1) (28 44 1) (29 33 1) (30 52 1) (31 38 1) (24 32 1) (32 23 1) (33 25 1) (47 34 1) (35 19 1) (36 44 2) (37 44 1) (38 45 1) (39 26 2) (40 44 1) (30 40 1 :DOWN) (43 41 1 :UP) (42 29 1) (43 35 1) (43 30 1) (45 42 1) (46 32 2) (51 47 2) (48 42 2) (49 33 2) (50 51 1) (46 51 1) (53 54 1) (54 31 1) (55 53 2) (54 56 1 :UP) (31 57 1) (31 58 1) (27 59 1) (59 60 1) (60 61 1) (61 62 1) (62 63 1) (63 64 1) (61 65 2)) ((64 65 1) (63 64 1) (62 63 1) (61 62 1) (60 61 1) (59 60 1) (58 59 1) (57 58 1) (56 57 1) (55 56 1) (54 55 1) (53 54 1) (52 53 1) (50 52 1) (49 51 2) (49 50 1) (42 49 1) (44 46 1) (46 48 2) (46 47 1) (45 46 1) (15 44 1 :DOWN) (14 43 1 :DOWN) (41 42 1) (40 41 1) (38 40 1) (37 39 2) (37 38 1) (36 37 1) (35 36 1) (34 35 1) (31 34 1) (31 33 2) (28 32 1) (28 31 1) (27 30 1) (27 29 1) (27 28 1) (26 27 1) (23 21 1) (22 26 1) (23 25 1) (23 24 2) (22 23 1) (18 21 1) (18 20 2) (18 19 1) (12 18 1) (13 10 1 :UP) (17 12 1) (16 17 1 :UP) (13 14 1) (15 14 1) (11 13 1) (16 15 1) (16 11 1) (4 9 1) (6 10 1) (8 5 1) (7 8 2) (10 7 1) (5 6 1) (4 5 2) (6 3 2) (3 2 1) (2 1 2) (1 4 1))
STRUCTURE-ATOMS (S C C O C C C C C C C C C C C C C C C O O O N N O N N O O C C C P C O O O C C O C P C P O C N O O N C C C C O O C C C C C N C C O) (N C N C C C C N N N O O C C C C C P O O O O P O O C C C C C C O O N C C C N O C C S O O O P O O C C O C C C C C C C C C C C C C C)
2-AMINOBENZOYL-COA 2-aminobenzoyl-CoA SUPERATOMS COA-GROUP NIL
3-HYDROXY-3-METHYL-GLUTARYL-COA (S)-3-hydroxy-3-methylglutaryl-CoA SUPERATOMS Annot. on value COA-GROUP, REPLACES-ATOM: (49); Annot. on value COA-GROUP, REPLACES-ATOM: (51);
ATOM-CHARGES ((48 -1) (32 -1) (26 -1) (15 -1) (4 -1)) ((50 -1) (33 -1) (27 -1) (15 -1) (4 -1))
DISPLAY-COORDS-2D ((37858 -18977) (26647 8645) (34933 -13290) (48581 6208) (-38995 -15726) (25184 -31975) (7149 -36199) (-42406 -26776) (1300 9620) (42732 -39448) (18035 -43023) (24371 -55209) (30058 -23201) (-24534 -23039) (-7799 -19626) (26647 359) (1300 1334) (-42406 -35062) (14948 -27913) (-33958 -3541) (-38995 -24013) (24371 -46923) (34933 -8253) (-30383 -26776) (37858 -32300) (32821 -5328) (18035 -35711) (-17222 -27913) (-813 -27913) (-33958 -11828) (40295 6208) (7149 -19626) (-30383 -18489) (-48744 -2403) (30871 -43348) (-30383 -35062) (-42569 1334) (-26971 1171) (32008 6208) (22584 -27913) (-7799 -36199) (37371 -46273) (-19010 -3216) (7149 -27913) (30871 -36037) (-7799 -27913) (19660 -3216) (40295 14494) (-5687 -3703) (13649 846) (7637 -3216) (22584 -18977) (40295 -2728) (25672 -13290) (-48744 -23039) (-12023 1171) (9524 7991) (18023 7841)) ((38716 -15619) (27251 -43867) (35725 -21435) (49683 -41375) (-39879 -18943) (25755 -2326) (7311 1994) (-43368 -7643) (1329 -44864) (43701 5317) (18444 8973) (24924 21435) (30740 -11299) (-25090 -11465) (-7976 -14955) (27251 -35393) (1329 -36390) (-43368 831) (15287 -6480) (-34728 -31405) (-39879 -10468) (13958 -27417) (24924 12961) (35725 -26586) (-31072 -7643) (38716 -1994) (33565 -29577) (18444 1495) (-17613 -6480) (-831 -6480) (-34728 -22930) (41209 -41375) (7311 -14955) (-31072 -16118) (-49849 -32568) (31571 9305) (-31072 831) (-43534 -36390) (-27583 -36224) (32734 -41375) (23096 -6480) (-7976 1994) (38218 12296) (-19441 -31737) (7311 -6480) (31571 1828) (13958 -44365) (-7976 -6480) (20106 -31737) (41209 -49849) (-5816 -31239) (13958 -35891) (7810 -31737) (23096 -15619) (41209 -32236) (26254 -21435) (-49849 -11465) (-12296 -36224))
STRUCTURE-BONDS ((56 43 1) (55 8 1) (54 53 1) (54 3 1) (52 13 1) (52 54 1) (51 17 1) (50 51 1) (49 56 1) (48 31 1) (47 50 1) (46 29 1) (25 45 1) (44 19 1) (43 38 1) (42 10 2) (35 42 1) (41 46 2) (40 52 1) (39 31 2) (38 20 1) (37 34 1) (36 24 1) (45 35 2) (34 55 1) (33 24 1) (32 44 1) (31 53 1) (30 20 2) (29 44 1) (28 46 1) (27 6 2) (26 16 1) (24 14 1) (23 3 1) (35 22 1) (22 11 2) (21 24 1) (20 37 1) (19 40 1) (18 8 2) (17 49 1) (16 47 1) (15 46 1) (14 28 1) (13 1 1) (12 22 1) (11 27 1) (10 25 1) (9 17 2) (8 21 1) (7 44 2) (6 45 1) (5 21 1) (4 31 1) (2 16 2) (1 25 1) (1 3 1) (50 57 1 :DOWN) (50 58 1 :UP)) ((58 44 1) (57 8 1) (56 55 1) (56 3 1) (54 13 1) (54 56 1) (53 17 1) (52 53 1) (51 58 1) (50 32 1) (49 52 1) (48 30 1) (47 52 1) (26 46 1) (45 19 1) (44 39 1) (43 10 2) (36 43 1) (42 48 2) (41 54 1) (40 32 2) (39 20 1) (38 35 1) (37 25 1) (46 36 2) (35 57 1) (34 25 1) (33 45 1) (32 55 1) (31 20 2) (30 45 1) (29 48 1) (28 6 2) (27 16 1) (25 14 1) (24 3 1) (36 23 1) (23 11 2) (22 52 1) (21 25 1) (20 38 1) (19 41 1) (18 8 2) (17 51 1) (16 49 1) (15 48 1) (14 29 1) (13 1 1) (12 23 1) (11 28 1) (10 26 1) (9 17 2) (8 21 1) (7 45 2) (6 46 1) (5 21 1) (4 32 1) (2 16 2) (1 26 1) (1 3 1))
STRUCTURE-ATOMS (C O C O O N O C O C N N O C O C C O O C C C O C N O C O O O P O C C C C C N O C O N C P C P C O S C C C O C N C O C) (C O C O O N O C O C N N O C O C C O O C C C C O C N O C O O O P O C C C C C N O C O N C P C O P C O S C C C O C N C)
ACETYL-COA acetyl-CoA SUPERATOMS Annot. on value COA-GROUP, CONNECTED-TO: (2);Annot. on value COA-GROUP, REPLACES-ATOM: (1); Annot. on value COA-GROUP, CONNECTED-TO: (18);Annot. on value COA-GROUP, REPLACES-ATOM: (50);
ATOM-CHARGES ((23 -1) (14 -1) (8 -1) (6 -1)) ((51 -1) (25 -1) (7 -1) (2 -1))
DISPLAY-COORDS-2D ((296670 -398120) (368110 -439370) (439560 -398120) (368110 -521870) (-228810 79200) (-549180 -110390) (-203880 224070) (-413160 -259840) (-150700 52660) (-73590 182170) (-517620 4660) (-43760 -27240) (-203400 -440100) (-465570 309240) (-438030 -145850) (-335750 159080) (-417800 -399160) (-83310 100250) (-475870 -72540) (2210 214720) (-296200 31600) (-300570 308690) (-382800 391470) (-489310 -358010) (-126250 -26140) (-383350 226470) (-441080 56530) (-482590 -215280) (-362290 80980) (-383070 308970) (-527150 -284710) (-17220 50880) (68300 165340) (-552020 -170710) (-402560 -34700) (124680 34050) (58590 83430) (-253260 157980) (-274910 -398950) (-346300 -440310) (-275030 -316450) (-346180 -522810) (-458950 -470670) (-376660 -327650) (-132010 -398750) (-60510 -439890) (10880 -398540) (82390 -439680) (153770 -398330) (225280 -439480) (10760 -316040)) ((39776 -11786) (9870 -11344) (36830 -17384) (27401 884) (-28433 -19151) (-38598 -4272) (-4862 -11344) (44491 8250) (20478 11638) (-26812 3978) (32116 -7661) (7661 -39482) (-44638 -27401) (9870 5156) (-13995 -3094) (-44638 -7808) (-21214 -7808) (7661 -31232) (-28433 -27401) (27843 -27696) (26518 15468) (-19888 -32410) (-26812 -4272) (39776 1178) (36093 -36388) (-4862 5156) (19593 -36388) (-35210 -32705) (1915 -3094) (26518 23718) (-32558 -16058) (-12522 -26076) (32852 11933) (36830 -22393) (-26812 -12522) (17384 -3094) (-38598 3978) (39335 14732) (27843 -36388) (9870 -3094) (32852 4862) (-5745 -31821) (-4862 -3094) (20478 4567) (13701 -25634) (-32558 -7808) (24897 -3094) (24897 -11786) (27843 -17384) (1178 -25634) (27843 -44638))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (2 4 2) (50 1 1) (5 9 1 :UP) (5 38 1) (6 19 1) (38 7 1 :DOWN) (8 28 1) (9 25 1) (20 10 2) (11 27 1) (12 32 1) (13 39 1) (14 30 1) (15 19 1) (16 38 1) (17 24 1) (10 18 1) (18 9 1) (19 11 1) (33 20 1) (21 5 1) (22 30 2) (23 30 1) (24 31 1) (25 12 2) (26 30 1) (16 26 1 :DOWN) (29 27 1 :UP) (28 15 1) (29 21 1) (29 16 1) (31 28 1) (32 18 2) (37 33 2) (34 28 2) (35 19 2) (36 37 1) (32 37 1) (39 40 1) (40 17 1) (41 39 2) (40 42 1 :UP) (17 43 1) (17 44 1) (13 45 1) (45 46 1) (46 47 1) (47 48 1) (48 49 1) (49 50 1) (47 51 2)) ((51 39 1) (50 42 1) (49 20 1) (49 3 1) (48 11 1) (48 49 1) (47 48 1) (46 23 1) (45 18 1) (44 4 2) (43 29 1) (42 32 1) (24 41 1) (40 36 1) (39 20 1) (38 8 2) (33 38 1) (37 6 2) (36 47 1) (35 23 1) (34 3 1) (41 33 2) (32 22 1) (31 46 1) (30 21 1) (29 40 1) (28 13 1) (27 39 2) (26 43 2) (25 39 1) (23 17 1) (22 19 1) (33 21 1) (21 9 2) (19 28 1) (18 50 1) (17 15 1) (16 6 1) (15 43 1) (14 40 2) (13 16 1) (12 18 2) (11 1 1) (10 23 1) (9 44 1) (8 24 1) (7 43 1) (6 46 1) (5 19 2) (4 41 1) (2 40 1) (1 24 1) (1 3 1))
STRUCTURE-ATOMS (S C C O C O O O N N O N N O O C C C P C O O O C C O C P C P O C N O O N C C C C O O C C C C C N C C O) (C O C N O C O C N C O O C O O N C C C O C N C N O O O C O N O C C O C O O N P P C C P C C C C C C S O)
ISOBUTYRYL-COA isobutyryl-CoA SUPERATOMS COA-GROUP NIL
ATOM-CHARGES ((25 -1) (16 -1) (10 -1) (8 -1)) ((46 -1) (44 -1) (25 -1) (19 -1))
DISPLAY-COORDS-2D ((74440 51330) (81608 47248) (88727 51414) (81656 38998) (88679 59663) (95896 47332) (21892 99062) (-10145 80103) (24385 113550) (3457 65158) (29703 96408) (37414 109360) (-6989 91608) (40397 88418) (24433 47132) (-1784 122067) (970 76557) (11198 107051) (2993 51226) (36442 101167) (-2814 83888) (44994 112615) (15153 94302) (14716 122012) (6493 130290) (-4158 55341) (32148 88528) (6438 113790) (665 96795) (-3486 69614) (8544 99240) (6466 122040) (-7942 62671) (43051 96230) (51603 107677) (-10429 74071) (4517 87672) (57241 94547) (50632 99485) (19447 106941) (17282 51247) (10143 47111) (17270 59497) (10155 38861) (-1122 44075) (7107 58377) (31572 51267) (38722 47153) (45861 51288) (53012 47174) (60150 51309) (67301 47194) (45849 59538)) ((4560 -84350) (4560 -930) (76020 41240) (76020 -125590) (148370 -84350) (148370 -930) (292770 -84350) (220570 -126310) (75790 -208090) (292590 -930) (190150 93060) (-70270 172080) (258370 142390) (233390 219890) (149190 219890) (123000 141180) (45750 116890) (-198690 171740) (-198100 88340) (-286220 172160) (-198800 346360) (-103190 515170) (-198230 514570) (-281170 515450) (-197870 613100) (-41200 471780) (30240 513010) (101680 471750) (29360 586360) (28500 427750) (173140 512990) (101670 389260) (173150 595490) (244570 471730) (316020 512970) (387460 471710) (458920 512950) (530350 471690) (458930 595450) (601800 512930) (673250 471680) (281960 286590) (106910 279020) (16810 200470) (19130 278460) (-62420 280020) (18500 361420) (744420 513320) (816100 472490) (887300 514160) (816580 389990) (886820 596650) (958990 473330))
STRUCTURE-BONDS ((3 6 1) (3 5 1) (2 4 2) (2 3 1) (1 2 1) (52 1 1) (7 11 1 :UP) (7 40 1) (8 21 1) (40 9 1 :DOWN) (10 30 1) (11 27 1) (22 12 2) (13 29 1) (14 34 1) (15 41 1) (16 32 1) (17 21 1) (18 40 1) (19 26 1) (12 20 1) (20 11 1) (21 13 1) (35 22 1) (23 7 1) (24 32 2) (25 32 1) (26 33 1) (27 14 2) (28 32 1) (18 28 1 :DOWN) (31 29 1 :UP) (30 17 1) (31 23 1) (31 18 1) (33 30 1) (34 20 2) (39 35 2) (36 30 2) (37 21 2) (38 39 1) (34 39 1) (41 42 1) (42 19 1) (43 41 2) (42 44 1 :UP) (19 45 1) (19 46 1) (15 47 1) (47 48 1) (48 49 1) (49 50 1) (50 51 1) (51 52 1) (49 53 2)) ((50 53 1) (50 52 1) (49 51 2) (49 50 1) (48 49 1) (43 45 1) (45 47 2) (45 46 1) (44 45 1) (15 43 1 :DOWN) (14 42 1 :DOWN) (41 48 1) (40 41 1) (38 40 1) (37 39 2) (37 38 1) (36 37 1) (35 36 1) (34 35 1) (31 34 1) (31 33 2) (28 32 1) (28 31 1) (27 30 1) (27 29 1) (27 28 1) (26 27 1) (23 21 1) (22 26 1) (23 25 1) (23 24 2) (22 23 1) (18 21 1) (18 20 2) (18 19 1) (12 18 1) (13 10 1 :UP) (17 12 1) (16 17 1 :UP) (13 14 1) (15 14 1) (11 13 1) (16 15 1) (16 11 1) (4 9 1) (6 10 1) (8 5 1) (7 8 2) (10 7 1) (5 6 1) (4 5 2) (6 3 2) (3 2 1) (2 1 2) (1 4 1))
STRUCTURE-ATOMS (S C C O C C C O O O N N O N N O O C C C P C O O O C C O C P C P O C N O O N C C C C O O C C C C C N C C O) (N C N C C C C N N N O O C C C C C P O O O O P O O C C C C C C O O N C C C N O C C O O O P O O S C C O C C)
CPD-18 linoleoyl-CoA SUPERATOMS COA-GROUP NIL
CAFFEOYL-COA caffeoyl-CoA DISPLAY-COORDS-2D ((-9910 29311) (120933 20467) (11744 26567) (97640 40299) (-51106 1868) (54524 29311) (136819 24923) (61919 25652) (-1988 17419) (91168 45415) (-31036 23823) (-38958 35715) (43923 35791) (-72232 -3621) (123517 41798) (-38430 27482) (-2516 25652) (26532 19249) (131253 38931) (4350 30226) (130918 30688) (-44768 14675) (-45296 22908) (83501 42369) (47658 24737) (126834 14702) (75835 39322) (80455 50036) (80753 19701) (90439 27482) (-65894 9186) (144763 27152) (32342 40289) (-51634 10101) (-24170 28396) (58259 18258) (122975 28460) (-73288 12845) (32870 32056) (26004 27482) (-65366 953) (40264 28396) (76179 26567) (110157 35661) (86548 34702) (118401 35326) (71605 33433) (108450 50263) (18610 31141) (105041 29189) (134778 16930) (-16776 24737) (65578 33046) (-57972 -2706) (36605 21002) (-59028 13760) (69313 21993) (83045 31141) (105583 42527) (97305 32056)) ((2245 -15713) (54436 -49011) (-19642 -19455) (55184 -30304) (-36478 -17958) (11972 -44896) (53688 -64163) (21325 -44896) (-6547 -28247) (55184 -23944) (23758 -20577) (22074 -6173) (-1310 -52004) (-72394 -5238) (72208 -56681) (10101 -13843) (-6547 -19829) (-13469 -52004) (66969 -63415) (-13656 -15526) (60422 -60609) (-17584 -12907) (-4302 -4863) (55184 -15713) (4490 -40219) (47515 -52752) (55184 -7483) (46953 -15713) (36665 -53127) (52004 -44896) (-50507 6734) (53688 -72394) (-7108 -31988) (-28995 -5238) (16462 -25067) (21325 -53127) (60422 -53127) (-57429 17210) (-7108 -40219) (-13469 -43773) (-57990 -5238) (-1310 -43773) (36665 -44896) (67157 -36291) (63415 -15713) (67157 -49385) (36665 -36852) (64351 -25441) (-19642 -40219) (59674 -40406) (47515 -60235) (9914 -20016) (21325 -36852) (-50507 -17958) (-1310 -35729) (-36478 6734) (28434 -44896) (44147 -44896) (64351 -30304) (52004 -36291))
DEPHOSPHO-COA dephospho-CoA DISPLAY-COORDS-2D ((76015 -29555) (67324 -30073) (168336 -43071) (28579 -32649) (57157 -32649) (110505 -32534) (94162 -32483) (64301 -12024) (131708 -411) (143925 -843) (110548 -16035) (94030 -15986) (0 -24399) (171378 -21456) (145691 -30698) (7145 -20274) (14290 -24399) (42868 -24399) (35723 -20274) (126967 -24244) (78592 -20274) (172966 -29552) (163573 -18783) (151734 -36314) (21434 -20274) (50013 -20274) (118722 -24530) (85735 -24399) (137635 -20643) (102230 -24514) (28579 -24399) (57157 -24399) (166748 -34975) (158944 -32302) (157356 -24206) (64301 -20274) (133725 -8602) (142461 -8567) (131504 -16033) (143732 -16490) (149166 -23214) (71447 -24399) (110477 -24284) (93984 -24235)) ((76017 -29556) (67326 -30074) (168341 -43072) (28580 -32650) (57159 -32650) (110508 -32535) (94165 -32484) (64303 -12024) (131712 -411) (143929 -843) (110551 -16035) (94033 -15986) (0 -24400) (171383 -21457) (145695 -30699) (7145 -20275) (14290 -24400) (42869 -24400) (35724 -20275) (126971 -24245) (78594 -20275) (172971 -29553) (163578 -18784) (151739 -36315) (21435 -20275) (50014 -20275) (118726 -24531) (85738 -24400) (137639 -20644) (102233 -24515) (28580 -24400) (57159 -24400) (166753 -34976) (158949 -32303) (157361 -24207) (64303 -20275) (133729 -8602) (142465 -8567) (131508 -16033) (143736 -16490) (149170 -23215) (71449 -24400) (110480 -24285) (93987 -24236))
STRUCTURE-BONDS ((40 41 1 :UP) (38 40 1) (37 39 1) (37 38 1) (36 42 1) (41 35 1) (35 34 2) (34 33 1) (32 36 1) (30 44 1) (30 43 1) (29 40 1) (29 39 1) (28 44 1) (27 43 1) (26 32 1) (25 31 1) (34 24 1) (23 35 1) (33 22 2) (21 42 1) (21 28 1) (39 20 1 :UP) (20 27 1) (19 31 1) (18 26 1) (18 19 1) (17 25 1) (16 17 1) (15 41 1) (24 15 2) (14 23 2) (22 14 1) (13 16 1) (12 44 1) (11 43 1) (38 10 1 :DOWN) (37 9 1 :DOWN) (36 8 1 :UP) (7 44 2) (6 43 2) (5 32 2) (4 31 2) (3 33 1) (2 42 1) (1 42 1)) ((41 40 1 :UP) (38 40 1) (37 39 1) (37 38 1) (36 42 1) (41 35 1) (35 34 2) (34 33 1) (32 36 1) (30 44 1) (30 43 1) (29 40 1) (29 39 1) (28 44 1) (27 43 1) (26 32 1) (25 31 1) (34 24 1) (23 35 1) (33 22 2) (21 42 1) (21 28 1) (20 39 1 :UP) (20 27 1) (19 31 1) (18 26 1) (18 19 1) (17 25 1) (16 17 1) (15 41 1) (24 15 2) (14 23 2) (22 14 1) (13 16 1) (12 44 1) (11 43 1) (38 10 1 :DOWN) (37 9 1 :DOWN) (36 8 1 :UP) (7 44 2) (6 43 2) (5 32 2) (4 31 2) (3 33 1) (2 42 1) (1 42 1))
BENZOYLCOA benzoyl-CoA ATOM-CHARGES ((28 -1) (19 -1) (13 -1) (11 -1)) NIL
DISPLAY-COORDS-2D ((-1694 615) (-1549 533) (-1694 533) (-1837 533) (-1837 615) (-1765 490) (-1765 658) (-1620 408) (-1620 492) (-1022 1009) (-703 819) (-1047 1155) (-838 671) (-1101 983) (-1178 1113) (-734 935) (-1208 903) (-1048 491) (-786 1240) (-814 784) (-915 1090) (-834 532) (-1169 1030) (-776 857) (-1254 1146) (-955 961) (-950 1240) (-868 1322) (-763 573) (-1126 904) (-868 1157) (-811 986) (-769 716) (-889 1011) (-868 1240) (-725 646) (-1235 981) (-1320 1096) (-700 760) (-848 895) (-1377 964) (-1311 1013) (-998 1088) (-976 532) (-905 491) (-976 614) (-905 408) (-793 460) (-874 603) (-1120 532) (-1192 491) (-1263 532) (-1334 491) (-1406 533) (-1477 491) (-1263 615)) ((-1693 615) (-1548 533) (-1693 533) (-1836 533) (-1836 615) (-1764 490) (-1764 658) (-1619 408) (-1619 492) (-1022 1009) (-703 819) (-1047 1154) (-838 671) (-1100 983) (-1177 1112) (-734 935) (-1207 903) (-1048 491) (-786 1239) (-814 784) (-915 1089) (-834 532) (-1168 1030) (-776 857) (-1253 1145) (-955 961) (-950 1239) (-868 1321) (-763 573) (-1125 904) (-868 1156) (-811 986) (-769 716) (-889 1011) (-868 1239) (-725 646) (-1234 981) (-1319 1095) (-700 760) (-848 895) (-1376 964) (-1310 1013) (-998 1088) (-976 532) (-905 491) (-976 614) (-905 408) (-793 460) (-874 603) (-1119 532) (-1191 491) (-1262 532) (-1333 491) (-1405 533) (-1476 491) (-1262 615))
SULFOQUINOVOSYLDIACYLGLYCEROL sulfoquinovosyldiacylglycerol DISPLAY-COORDS-2D ((27954 -28671) (-7943 16849) (-29330 6005) (-7943 352) (27954 -36921) (-15124 12727) (-29330 -5301) (6567 -24546) (-15124 4477) (-35287 352) (-610 4477) (-29330 352) (13748 -12019) (6567 -16300) (20773 -16300) (13748 -3773) (20773 -24546) (6567 352) (6567 16849) (-7943 25099) (-22149 16849) (-22149 352) (-610 12727) (-610 -28671) (35108 -24562) (13721 -28656)) ((27954 18483) (-7943 -27037) (-29330 -16193) (-7943 -10540) (27954 26733) (-15124 -22915) (-29330 -4887) (6567 14358) (-15124 -14665) (-35287 -10540) (-610 -14665) (-29330 -10540) (13748 1831) (6567 6112) (20773 6112) (13748 -6415) (20773 14358) (6567 -10540) (6567 -27037) (-7943 -35287) (-22149 -27037) (-22149 -10540) (-610 -22915) (-610 18483) (35108 14374) (13721 18468))
STRUCTURE-BONDS ((23 2 1) (23 19 1 :DOWN) (22 12 1) (17 1 1) (16 18 1) (15 17 1) (14 8 1) (13 14 1 :DOWN) (13 15 1) (13 16 1) (12 7 2) (12 3 2) (12 10 1) (11 23 1) (11 18 1 :DOWN) (9 4 1) (9 22 1 :UP) (8 26 1) (8 24 2) (6 9 1) (6 21 1 :DOWN) (4 11 1) (2 6 1) (2 20 1 :UP) (1 25 1) (1 5 2)) ((23 2 1) (23 19 1) (22 12 1) (17 1 1) (16 18 1) (15 17 1) (14 8 1) (13 14 1) (13 15 1) (13 16 1) (12 7 2) (12 3 2) (12 10 1) (11 23 1) (11 18 1) (9 4 1) (9 22 1) (8 26 1) (8 24 2) (6 9 1) (6 21 1) (4 11 1) (2 6 1) (2 20 1) (1 25 1) (1 5 2))
GLC-6-P β-D-glucose-6-phosphate STRUCTURE-BONDS ((13 16 2) (13 15 1) (13 14 1) (12 13 1) (7 12 1) (4 11 1 :DOWN) (2 10 1 :DOWN) (3 9 1 :UP) (5 8 1 :UP) (1 7 1 :UP) (5 6 1) (4 5 1) (3 4 1) (2 3 1) (1 2 1) (1 6 1)) ((13 16 2) (13 15 1) (13 14 1) (12 13 1) (7 12 1) (4 11 1 :DOWN) (2 10 1 :DOWN) (3 9 1 :UP) (8 5 1 :UP) (1 7 1 :UP) (5 6 1) (4 5 1) (3 4 1) (2 3 1) (1 2 1) (1 6 1))
ARABINOSE-5P D-arabinose 5-phosphate ATOM-CHARGES ((14 -1) (13 -1)) ((5 -1) (4 -1))
DISPLAY-COORDS-2D ((7145 2292) (0 -1833) (-7145 2292) (-14289 -1833) (-21433 2292) (-28578 -1833) (7145 10542) (0 -10083) (-7145 10542) (-14289 -10083) (-35723 -5958) (-42867 -10083) (-31598 -13103) (-39848 1187)) ((-1210 1243) (-364 1243) (-1210 -1221) (1449 -1221) (592 -2079) (-364 2068) (592 -1221) (592 -364) (-320 -1221) (-1210 429) (-2079 429) (-1210 2068) (-1210 -396) (-2068 -396))
STRUCTURE-BONDS ((1 7 2) (2 1 1) (2 8 1 :DOWN) (3 2 1) (3 9 1 :DOWN) (4 3 1) (4 10 1 :UP) (5 4 1) (6 5 1) (6 11 1) (11 12 2) (11 13 1) (11 14 1)) ((14 13 1) (13 3 1) (12 1 1) (11 10 1) (10 13 1) (9 7 1) (8 7 2) (6 12 2) (5 7 1) (4 7 1) (3 9 1) (2 1 1) (1 10 1))
STRUCTURE-ATOMS (C C C C C O O O O O P O O O) (C O C O O O P O O C O C C O)
CPDQT-4 α-L-galactose-1-phosphate DISPLAY-COORDS-2D ((-24372 14813) (-31517 10688) (-17227 10688) (-17227 2437) (-31517 2437) (-24372 -1688) (-10086 14813) (-24372 23060) (-38661 14813) (-10086 -1688) (-10086 -18185) (-18333 -9938) (-1836 -9938) (-10086 -9938) (-38661 -9938) (-38661 -1688)) ((-24373 14813) (-31518 10688) (-17228 10688) (-17228 2437) (-31518 2437) (-24373 -1688) (-10086 14813) (-24373 23061) (-38662 14813) (-10086 -1688) (-10086 -18186) (-18334 -9938) (-1836 -9938) (-10086 -9938) (-38662 -9938) (-38662 -1688))
STRUCTURE-BONDS ((6 5 1) (6 4 1) (5 2 1) (2 1 1) (1 3 1) (3 4 1) (1 8 1 :DOWN) (2 9 1 :DOWN) (3 7 1 :UP) (4 10 1 :UP) (5 16 1 :DOWN) (10 14 1) (14 11 2) (14 13 1) (14 12 1) (16 15 1)) ((6 5 1) (6 4 1) (5 2 1) (2 1 1) (1 3 1) (3 4 1) (1 8 1 :DOWN) (2 9 1 :DOWN) (3 7 1 :DOWN) (4 10 1 :UP) (5 16 1 :DOWN) (10 14 1) (14 11 2) (14 13 1) (14 12 1) (16 15 1))
RIBOSE-1P α-D-ribose-1-phosphate ATOM-CHARGES ((12 -1) (11 -1)) ((4 -1) (2 -1))
DISPLAY-COORDS-2D ((1211 1671) (1186 1748) (1142 1622) (1290 1646) (1102 1748) (1235 1815) (1076 1670) (1371 1646) (1054 1815) (997 1646) (1454 1646) (1371 1563) (1371 1728) (949 1711)) ((13783 -6699) (20938 -13853) (5575 -13853) (13783 -21008) (13783 -13853) (-1569 -9728) (-8244 -14577) (-14918 -9728) (-12369 -1882) (-4119 -1882) (-22063 -13853) (-18202 3952) (1715 3952) (-29207 -9728))
STRUCTURE-BONDS ((1 2 1) (1 3 1) (1 4 1 :DOWN) (2 5 1) (2 6 1 :DOWN) (3 7 1) (4 8 1) (5 9 1 :DOWN) (7 10 1 :UP) (8 11 1) (8 12 1) (8 13 2) (10 14 1) (5 7 1)) ((5 3 1) (4 5 1) (2 5 1) (1 5 2) (3 6 1 :DOWN) (10 6 1) (7 6 1) (7 8 1) (8 9 1) (9 10 1) (8 11 1 :UP) (12 9 1 :DOWN) (13 10 1 :DOWN) (11 14 1))
STRUCTURE-ATOMS (C C O O C O C P O C O O O O) (O O O O P C O C C C C O O O)
D-RIBULOSE-1-P D-ribulose-1-phosphate ATOM-CHARGES ((14 -1) (12 -1)) ((12 -1) (10 -1))
DISPLAY-COORDS-2D ((-36953 -6210) (-29808 -2085) (-22663 -6210) (-15518 -2085) (-8374 -6210) (-1229 -2085) (5916 -6210) (-22663 -14460) (-15518 6165) (-8374 -14460) (14166 -6210) (22416 -6210) (14166 -14460) (14166 2040)) ((-11760 4037) (-20186 -4037) (-1756 -20099) (-1756 -11674) (-10531 20186) (-11760 11936) (-11849 -11674) (-20186 20186) (-11760 -4037) (-1756 -3335) (-20186 4037) (6669 -11674) (-20186 -11674) (-20186 11936))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (6 7 1) (3 8 1 :UP) (4 9 1 :DOWN) (5 10 2) (7 11 1) (11 12 1) (11 13 2) (11 14 1)) ((14 11 1) (13 7 1) (12 4 1) (11 2 1) (10 4 1) (9 2 2) (8 14 1) (7 4 1) (6 14 1) (5 8 1) (3 4 2) (2 13 1) (1 11 1))
STRUCTURE-ATOMS (O C C C C C O O O O P O O O) (O C O P O O O C O O C O C C)
D-SEDOHEPTULOSE-7-P D-sedoheptulose-7-phosphate ATOM-CHARGES ((17 -1) (16 -1)) ((5 -1) (4 -1))
DISPLAY-COORDS-2D ((580 940) (580 1024) (651 899) (508 899) (508 816) (723 940) (651 816) (723 1024) (795 899) (867 940) (795 816) (867 1024) (939 899) (1011 940) (1094 940) (1177 940) (1094 858) (1094 1024)) ((-485710 -69950) (-57030 -69950) (85860 -69950) (157310 -111200) (44610 -141390) (127110 1500) (14410 -28700) (-557140 -28700) (-414260 -28700) (-342810 -69950) (-271370 -28700) (-199920 -69950) (-128480 -28700) (-414260 53800) (-271370 53800) (-128480 53800) (-199920 -152450) (-342810 -152450))
STRUCTURE-BONDS ((1 2 2) (1 3 1) (1 4 1) (4 5 1) (3 6 1) (3 7 1 :UP) (6 8 1 :UP) (6 9 1) (9 10 1) (9 11 1 :DOWN) (10 12 1 :UP) (10 13 1) (13 14 1) (14 15 1) (15 16 1) (15 17 1) (15 18 2)) ((13 16 1 :UP) (17 12 1 :DOWN) (11 15 1 :UP) (10 18 1 :UP) (9 14 2) (3 5 1) (3 6 2) (3 4 1) (7 3 1) (2 7 1) (13 2 1) (12 13 1) (11 12 1) (10 11 1) (9 10 1) (1 9 1) (8 1 1))
STRUCTURE-ATOMS (C O C C O C O O C C O O C O P O O O) (C C P O O O O O C C C C C O O O O O)
ERYTHROSE-4P D-erythrose-4-phosphate DISPLAY-COORDS-2D ((-14909 1850) (6525 -2275) (-7764 -2275) (-619 1850) (-29196 1850) (-33321 -5295) (-36341 5975) (-25071 8994) (-7764 -10525) (6525 -10525) (-619 10100) (-22051 -2275)) ((-14909 1850) (6525 -2275) (-7764 -2275) (-619 1850) (-29197 1850) (-33322 -5295) (-36342 5975) (-25072 8994) (-7764 -10525) (6525 -10525) (-619 10100) (-22052 -2275))
STRUCTURE-BONDS ((5 8 2) (5 6 1) (5 7 1) (12 5 1) (4 11 1 :DOWN) (3 9 1 :UP) (2 10 2) (4 2 1) (3 4 1) (1 3 1) (12 1 1)) ((5 8 2) (5 6 1) (5 7 1) (12 5 1) (11 4 1 :DOWN) (3 9 1 :UP) (2 10 2) (4 2 1) (3 4 1) (1 3 1) (12 1 1))
CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P 1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-phosphate ATOM-CHARGES ((22 -1) (21 -1) (10 -1)) ((22 -1) (20 -1) (12 -1))
DISPLAY-COORDS-2D ((1169 1153) (1169 1070) (1239 1194) (1096 1195) (1096 1029) (1239 1029) (1311 1153) (1025 1153) (1025 1070) (1311 1070) (1239 959) (1382 1193) (1453 1153) (1386 1275) (1525 1193) (1453 1070) (1596 1153) (1525 1275) (1667 1192) (1738 1152) (1769 1226) (1707 1078) (1817 1119)) ((-31179 17894) (-24108 -15106) (-15000 -23035) (-23787 31073) (-1394 23571) (-6856 -23035) (-23677 9107) (-24108 2787) (-16285 18751) (-24108 -23035) (-15964 2787) (-3966 11680) (-23677 14464) (-31179 26465) (-16179 -15106) (-8035 18751) (-27859 6108) (-6856 -14894) (-24108 -6535) (-6856 -31179) (-16179 -6535) (1285 -23035) (-16285 26465))
STRUCTURE-BONDS ((1 2 2) (1 3 1) (1 4 1) (2 5 1) (2 6 1) (3 7 1) (4 8 2) (5 9 2) (6 10 1) (6 11 2) (7 12 1) (12 13 1) (12 14 2) (13 15 1) (13 16 1 :DOWN) (15 17 1) (15 18 1 :UP) (17 19 1) (19 20 1) (20 21 1) (20 22 1) (20 23 2) (8 9 1)) ((4 23 2) (23 9 1) (22 6 1) (21 19 1) (20 6 1) (19 2 1) (18 6 2) (17 8 1) (16 9 1) (15 2 1) (1 14 2) (13 7 1) (12 16 1) (11 8 2) (10 3 1) (9 13 2) (8 19 1) (7 17 1) (5 16 2) (14 4 1) (3 6 1) (2 10 1) (13 1 1))
STRUCTURE-ATOMS (C C N C C C C C C O O C C O C O C O O P O O O) (C C O C O P N C C C O O C C O C C O C O O O C)
GAP D-glyceraldehyde-3-phosphate DISPLAY-COORDS-2D ((0 -3237500) (2991500 -781200) (1327500 -2628400) (2210600 0) (2210600 -1562200) (2900 -2412500) (721800 -1177400) (1445500 -781200) (718900 -2002400) (2210600 -781200)) ((0 -3237500) (2991500 -781200) (716000 -2827500) (2210600 0) (2210600 -1562200) (2900 -2412500) (721800 -1177400) (1445500 -781200) (718900 -2002400) (2210600 -781200))
GUANOSINE guanosine DISPLAY-COORDS-2D ((9372 10517) (2227 14642) (9371 27017) (16516 22892) (16516 14642) (24362 12093) (29212 18768) (24362 25442) (26912 33290) (22062 39963) (26911 46639) (24361 54485) (29882 60616) (34757 44089) (41432 48939) (34758 35839) (41432 30990) (2226 22892) (-4919 27017) (9372 2267)) ((-19006 -10087) (-14441 -29518) (-425 -24209) (-425 -29518) (-14441 -24209) (-27819 -10087) (-7751 16352) (4141 -15821) (-7751 8601) (4141 8601) (-29518 4247) (-19006 -15821) (-14759 20705) (-14759 29412) (-21873 8601) (-1487 19749) (-14759 3929) (-7539 -8919) (4141 15715) (-21873 16352))
STRUCTURE-BONDS ((20 1 2) (1 2 1) (1 5 1) (2 18 1) (18 3 2) (3 4 1) (4 5 2) (4 8 1) (5 6 1) (6 7 2) (7 8 1) (9 8 1 :UP) (9 10 1) (9 16 1) (10 11 1) (11 12 1 :UP) (11 14 1) (12 13 1) (14 15 1 :DOWN) (14 16 1) (16 17 1 :DOWN) (18 19 1)) ((20 13 1) (19 16 2) (18 8 1) (17 15 2) (16 7 1) (15 20 1) (14 13 2) (13 7 1) (12 18 1) (12 5 1) (11 15 1) (10 19 1) (9 10 1) (9 17 1) (8 10 1) (8 3 1) (7 9 2) (6 1 1) (5 3 1) (4 3 1) (2 5 1) (1 12 1))
STRUCTURE-ATOMS (C N N C C N C N C O C C O C O C O C N O) (C O C O C O C C C N N C C O C N N O C N)
ATP ATP ATOM-CHARGES ((30 -1) (29 -1) (25 -1) (3 -1)) ((29 -1) (25 -1) (3 -1))
DATP dATP ATOM-CHARGES ((28 -1) (27 -1) (5 -1) (4 -1)) ((27 -1) (5 -1) (4 -1))
DISPLAY-COORDS-2D ((5318 -3308) (3674 -3308) (7296 -1326) (5316 -1665) (3674 -1665) (9988 -4791) (6751 -3032) (9506 -5467) (7995 -3961) (6140 -2486) (8191 -3253) (4496 -2487) (7284 -4380) (7995 -5622) (8716 -5211) (8716 -4380) (7532 -2775) (7781 -1989) (8608 -1989) (8860 -2775) (7284 -5211) (9504 -4132) (5318 -2487) (3674 -2487) (2855 -2485) (2029 -3310) (2029 -1659) (1205 -2482) (2029 -2485) (7992 -6447)) ((5314 -3306) (3672 -3306) (7291 -1325) (5312 -1664) (3672 -1664) (9981 -4788) (6747 -3030) (9500 -5463) (7990 -3958) (6136 -2484) (8186 -3251) (4493 -2485) (7279 -4377) (7990 -5618) (8710 -5208) (8710 -4377) (7527 -2773) (7776 -1988) (8602 -1988) (8854 -2773) (7279 -5208) (9498 -4129) (5314 -2485) (3672 -2485) (2853 -2483) (2028 -3308) (2028 -1658) (1204 -2480) (2028 -2483) (7987 -6443))
ITP ITP ATOM-CHARGES ((30 -1) (27 -1) (23 -1) (4 -1)) ((30 -1) (27 -1) (4 -1))
CMP CMP DISPLAY-COORDS-2D ((8591600 -5050500) (7166800 -2580800) (4138200 -1981100) (6114200 -1300) (7906800 0) (4135700 -339900) (9313600 -3819600) (9313600 -2989800) (5570500 -1705200) (7883200 -3819600) (4958700 -1158700) (7009100 -1926300) (3316700 -1160500) (7883200 -2989800) (8593800 -4229900) (6598800 -663400) (7423900 -663400) (6349800 -1448600) (7677600 -1448600) (8593800 -2570500) (4137300 -1160500)) ((8591700 -5050500) (7166900 -2580800) (4138200 -1981100) (6114300 -1300) (7906900 0) (4135700 -339900) (9313700 -3819600) (9313700 -2989800) (5570600 -1705200) (7883300 -3819600) (4958700 -1158700) (7009200 -1926300) (3316700 -1160500) (7883300 -2989800) (8593900 -4229900) (6598900 -663400) (7424000 -663400) (6349900 -1448600) (7677700 -1448600) (8593900 -2570500) (4137300 -1160500))
GDP-MANNOSE GDP-α-D-mannose ATOM-CHARGES ((27 -1) (23 -1)) ((12 -1) (11 -1))
DISPLAY-COORDS-2D ((1825 784) (1746 759) (1788 922) (1873 718) (1746 675) (1673 801) (1719 872) (1762 999) (1825 650) (1673 635) (1602 759) (1653 921) (1680 999) (1812 1066) (1602 675) (1673 552) (1530 800) (1574 895) (1632 1067) (1503 936) (1420 936) (1338 936) (1419 1019) (1421 854) (1255 936) (1173 936) (1254 1022) (1256 854) (1101 977) (1101 1059) (1030 936) (1030 1101) (1173 1101) (958 977) (958 1059) (1030 1184) (888 936) (888 1101) (889 840)) ((7377 -4090) (8800 -6560) (6013 -3384) (4370 -3384) (0 -2062) (714 -825) (7992 -1402) (2143 0) (3573 -825) (9788 -1397) (6010 -1741) (4370 -1741) (10794 -4908) (714 -2476) (7447 -3108) (10313 -5583) (8803 -4078) (6834 -2560) (2143 -2476) (8887 -3330) (3550 -2560) (5191 -2562) (8090 -4497) (8803 -5739) (9523 -5328) (9523 -4497) (1429 -2062) (8228 -2850) (1429 -1238) (8477 -2065) (2143 -825) (2858 -1238) (9302 -2065) (2858 -2062) (9556 -2850) (8090 -5328) (10311 -4249) (6012 -2562) (4370 -2562))
STRUCTURE-BONDS ((1 2 1) (3 1 1 :UP) (1 4 1) (2 5 2) (2 6 1) (3 7 1) (3 8 1) (4 9 2) (5 10 1) (6 11 2) (7 12 1) (8 13 1) (8 14 1 :DOWN) (10 15 1) (10 16 2) (11 17 1) (12 18 1 :UP) (13 19 1 :DOWN) (18 20 1) (20 21 1) (21 22 1) (21 23 1) (21 24 2) (22 25 1) (25 26 1) (25 27 1) (25 28 2) (29 26 1 :DOWN) (29 30 1) (29 31 1) (30 32 1) (30 33 1 :UP) (31 34 1) (32 35 1) (32 36 1 :UP) (34 37 1 :UP) (35 38 1 :DOWN) (5 9 1) (11 15 1) (12 13 1) (34 35 1) (39 37 1)) ((1 23 1) (2 24 2) (3 38 2) (4 39 2) (5 14 1) (29 6 1 :DOWN) (30 7 1 :DOWN) (31 8 1 :UP) (32 9 1 :UP) (33 10 1 :DOWN) (11 38 1) (12 39 1) (13 16 2) (37 13 1) (27 14 1 :UP) (15 18 1) (28 15 1 :UP) (16 25 1) (17 23 2) (26 17 1) (18 38 1) (19 27 1) (19 34 1) (20 28 1) (20 35 1) (21 34 1 :DOWN) (21 39 1) (22 38 1) (22 39 1) (23 36 1) (24 25 1) (36 24 1) (25 26 2) (26 37 1) (27 29 1) (28 30 1) (29 31 1) (30 33 1) (31 32 1) (32 34 1) (33 35 1) (35 37 1 :UP))
STRUCTURE-ATOMS (N C C C C N O C N C C C C O N O N C O O P O O O P O O O C C O C O C C O C O O) (N O O O O O O O O O O O C C C N N O O O O O C C C C C C C C C C C C C N N P P)
4-CYTIDINE-5-DIPHOSPHO-2-C 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol DISPLAY-COORDS-2D ((1469 -34577) (115288 -16603) (90228 0) (34683 -28382) (51180 -28498) (0 -16297) (12917 -14529) (63340 -8257) (79715 -906) (12954 -34507) (34670 -11882) (51161 -11998) (104838 -19977) (96636 -20865) (0 -24547) (20529 -26155) (65273 -26101) (103300 -5771) (26459 -20420) (59454 -20253) (79461 -22252) (42954 -20196) (108170 -12430) (95098 -6659) (13002 -22778) (70498 -12360) (78025 -8981) (71386 -20562) (83564 -15095) (91766 -14206) (7175 -28619) (34704 -20132) (51204 -20248)) ((1469 -34577) (115287 -16603) (90227 0) (34683 -28382) (51180 -28498) (0 -16297) (12917 -14529) (63340 -8257) (79714 -906) (12954 -34507) (34670 -11882) (51161 -11998) (104837 -19977) (96635 -20865) (0 -24547) (20529 -26155) (65272 -26101) (103299 -5771) (26459 -20420) (59454 -20253) (79460 -22252) (42954 -20196) (108169 -12430) (95097 -6659) (13002 -22778) (70497 -12360) (78024 -8981) (71385 -20562) (83563 -15095) (91765 -14206) (7175 -28619) (34704 -20132) (51204 -20248))
STRUCTURE-BONDS ((29 30 1 :UP) (27 29 1) (26 28 1) (26 27 1) (25 31 1) (30 24 1) (22 33 1) (22 32 1) (21 29 1) (21 28 1) (20 33 1) (19 32 1) (24 18 1) (18 23 2) (28 17 1 :UP) (17 20 1) (16 25 1) (16 19 1) (15 31 1) (14 30 1) (23 13 1) (13 14 2) (12 33 1) (11 32 1) (31 10 1 :DOWN) (27 9 1 :DOWN) (26 8 1 :DOWN) (25 7 1 :UP) (6 15 1) (5 33 2) (4 32 2) (3 24 2) (2 23 1) (31 1 1 :UP)) ((29 30 1 :UP) (27 29 1) (26 28 1) (26 27 1) (25 31 1) (30 24 1) (22 33 1) (22 32 1) (21 29 1) (21 28 1) (20 33 1) (19 32 1) (24 18 1) (18 23 2) (17 28 1 :UP) (17 20 1) (16 25 1) (16 19 1) (15 31 1) (14 30 1) (23 13 1) (13 14 2) (12 33 1) (11 32 1) (31 10 1 :DOWN) (27 9 1 :DOWN) (26 8 1 :DOWN) (25 7 1 :UP) (6 15 1) (5 33 2) (4 32 2) (3 24 2) (2 23 1) (31 1 1 :UP))
2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol STRUCTURE-BONDS ((32 33 1 :UP) (30 32 1) (29 31 1) (29 30 1) (28 34 1) (33 27 1) (25 37 1) (25 36 1) (24 35 1) (34 24 1 :DOWN) (23 32 1) (23 31 1) (22 37 1) (21 36 1) (27 20 1) (20 26 2) (31 19 1 :UP) (19 22 1) (18 28 1) (18 21 1) (17 34 1) (16 33 1) (26 15 1) (15 16 2) (14 37 1) (13 36 1) (12 35 1) (11 35 1) (30 10 1 :DOWN) (29 9 1 :DOWN) (28 8 1 :UP) (7 17 1) (6 37 2) (5 36 2) (4 35 2) (3 27 2) (2 26 1) (34 1 1 :UP)) ((32 33 1 :UP) (30 32 1) (29 31 1) (29 30 1) (28 34 1) (33 27 1) (25 37 1) (25 36 1) (24 35 1) (34 24 1 :DOWN) (23 32 1) (23 31 1) (22 37 1) (21 36 1) (27 20 1) (20 26 2) (19 31 1 :UP) (19 22 1) (18 28 1) (18 21 1) (17 34 1) (16 33 1) (26 15 1) (15 16 2) (14 37 1) (13 36 1) (12 35 1) (11 35 1) (30 10 1 :DOWN) (29 9 1 :DOWN) (28 8 1 :UP) (7 17 1) (6 37 2) (5 36 2) (4 35 2) (3 27 2) (2 26 1) (34 1 1 :UP))
UDP-GALACTOSE UDP-D-galactose ATOM-CHARGES ((23 -1) (20 -1)) ((12 -1) (11 -1))
DISPLAY-COORDS-2D ((2385 1015) (2463 989) (2320 967) (2361 1095) (2526 1044) (2480 908) (2253 1017) (2278 1095) (2408 1162) (2604 1018) (2509 1124) (2559 882) (2174 991) (2229 1161) (2621 937) (2116 1049) (2698 911) (2034 1049) (1952 1049) (2034 1131) (2034 966) (1870 1048) (1869 1130) (1869 966) (1787 1048) (1716 1090) (1716 1172) (1787 1213) (1573 1172) (1502 1213) (1645 1213) (1573 1090) (1502 1048) (1431 1090) (1645 1048) (1645 1295)) ((973270 -527880) (830480 -279920) (596290 -169170) (431600 -169170) (0 -198710) (205290 -4640) (63180 -86920) (753640 0) (348750 -86930) (933080 -320) (596640 -334100) (431600 -334100) (1045830 -404180) (1045830 -320820) (63180 -251930) (696690 -170850) (679110 -251430) (205270 -251940) (841010 -193430) (348750 -251940) (514060 -251640) (973500 -445410) (902090 -320820) (205270 -86920) (133770 -128060) (801900 -67090) (277240 -128070) (884220 -67090) (133770 -210800) (775260 -145790) (277240 -210810) (908740 -144110) (902090 -404180) (973190 -278230) (596530 -251640) (431600 -251640))
STRUCTURE-BONDS ((1 2 1 :UP) (1 3 1) (1 4 1) (2 5 1) (2 6 1) (3 7 1) (4 8 1) (4 9 1 :DOWN) (5 10 1) (5 11 2) (6 12 2) (7 13 1 :UP) (7 8 1) (8 14 1 :DOWN) (10 15 1) (12 15 1) (13 16 1) (15 17 2) (16 18 1) (18 19 1) (18 20 1) (18 21 2) (19 22 1) (22 23 1) (22 25 1) (22 24 2) (26 25 1) (27 26 1) (35 26 1) (35 32 1) (32 29 1) (29 31 1) (31 27 1) (27 28 1 :DOWN) (29 30 1 :UP) (31 36 1 :UP) (32 33 1 :UP) (33 34 1)) ((32 34 1 :UP) (28 32 1) (27 31 1) (26 30 1) (26 28 1) (25 29 1) (24 27 1) (24 25 1) (23 34 1) (33 23 1) (22 33 1) (21 36 1) (21 35 1) (20 36 1) (31 20 1) (19 32 1) (19 30 1) (18 31 1) (18 29 1) (17 35 1) (30 16 1 :UP) (16 17 1) (29 15 1 :UP) (34 14 1) (13 22 1) (14 13 2) (12 36 1) (11 35 1) (28 10 1 :DOWN) (27 9 1 :DOWN) (26 8 1 :DOWN) (25 7 1 :UP) (24 6 1 :UP) (5 15 1) (4 36 2) (3 35 2) (2 23 2) (1 22 2))
STRUCTURE-ATOMS (C N O C C C C C O N O C C O C O O P O O O P O O O C C O C O C C C O O O) (O O O O O O O O O O O O C C C C O O O O O C C C C C C C C C C C N N P P)
UDP-GLUCURONATE UDP-D-glucuronate DISPLAY-COORDS-2D ((-42389 4906) (-42257 13154) (-35046 17164) (-27969 12926) (-28101 4677) (-35311 666) (-9719 3327) (-13927 -3770) (-21023 438) (-18134 -10866) (-752 1982) (1188 -6037) (-6830 -7977) (3129 -14055) (-49599 895) (-49731 -7354) (-20759 16936) (-34914 25414) (-49335 17393) (9207 -4096) (23093 -9126) (27146 -1941) (35233 -3576) (36176 -11771) (14897 -10070) (28674 -15202) (41308 2005) (23716 5562) (48082 -29312) (41829 -23931) (51149 -13099) (55869 -26587) (43362 -15825) (57402 -18481) (52682 -4993) (62123 -31968) (-56677 5134)) ((-35313 -16063) (-42457 -11938) (-42457 -3687) (-35313 438) (-28168 -3687) (-28168 -11938) (-9719 3327) (-13927 -3770) (-21023 438) (-18134 -10866) (-752 1982) (1188 -6037) (-6830 -7977) (3129 -14055) (-35313 -24313) (-28168 -28438) (-35313 8688) (-49602 438) (-49602 -16063) (9207 -4096) (23093 -9126) (27146 -1941) (35233 -3576) (36176 -11771) (14897 -10070) (28674 -15202) (41308 2005) (23716 5562) (48082 -29312) (41829 -23931) (51149 -13099) (55869 -26587) (43362 -15825) (57402 -18481) (52682 -4993) (62123 -31968) (-42458 -28438))
UDP-SULFOQUINOVOSE UDP-α-D-sulfoquinovopyranose ATOM-CHARGES ((37 -1) (23 -1) (20 -1)) ((14 -1) (13 -1) (12 -1))
DISPLAY-COORDS-2D ((2385 1015) (2463 989) (2320 967) (2361 1095) (2526 1044) (2480 908) (2253 1017) (2278 1095) (2409 1162) (2604 1018) (2509 1124) (2559 882) (2175 991) (2229 1161) (2621 937) (2116 1049) (2698 911) (2034 1049) (1953 1049) (2034 1131) (2034 966) (1870 1048) (1869 1130) (1869 966) (1787 1048) (1717 1090) (1717 1172) (1787 1213) (1573 1172) (1502 1213) (1645 1213) (1573 1090) (1502 1048) (1645 1048) (1645 1295) (1421 1048) (1338 1048) (1421 966) (1421 1130)) ((10592 -6373) (9167 -3904) (6139 -3304) (4498 -3304) (1650 -3307) (0 -3307) (2248 0) (827 -833) (8115 -1325) (3681 -831) (9907 -1324) (6137 -1664) (4498 -1664) (825 -4132) (11314 -5142) (11314 -4313) (7572 -3029) (825 -2482) (6960 -2482) (2254 -2482) (9010 -3250) (3679 -2481) (5318 -2484) (10594 -5553) (9884 -4313) (2250 -821) (1540 -1240) (8599 -1987) (2970 -1240) (9424 -1987) (8351 -2772) (1540 -2069) (2970 -2069) (9678 -2772) (9884 -5142) (10594 -3894) (6138 -2484) (4498 -2484) (825 -3307))
STRUCTURE-BONDS ((1 2 1 :UP) (1 3 1) (1 4 1) (2 5 1) (2 6 1) (3 7 1) (4 8 1) (4 9 1 :DOWN) (5 10 1) (5 11 2) (6 12 2) (7 13 1 :UP) (7 8 1) (8 14 1 :DOWN) (10 15 1) (12 15 1) (13 16 1) (15 17 2) (16 18 1) (18 19 1) (18 20 1) (18 21 2) (19 22 1) (22 23 1) (22 25 1) (22 24 2) (26 25 1 :DOWN) (27 26 1) (34 26 1) (34 32 1) (32 29 1) (29 31 1) (31 27 1) (27 28 1 :DOWN) (29 30 1 :DOWN) (31 35 1 :UP) (32 33 1 :UP) (33 36 1) (36 37 1) (36 38 2) (36 39 2)) ((34 36 1 :UP) (30 34 1) (29 33 1) (28 31 1) (28 30 1) (27 32 1) (26 29 1) (26 27 1) (25 36 1) (35 25 1) (24 35 1) (23 38 1) (23 37 1) (22 38 1) (33 22 1 :DOWN) (21 34 1) (21 31 1) (20 33 1) (20 32 1) (19 37 1) (18 39 1) (32 18 1 :UP) (31 17 1 :UP) (17 19 1) (36 16 1) (15 24 1) (16 15 2) (14 39 1) (13 38 1) (12 37 1) (30 11 1 :DOWN) (29 10 1 :DOWN) (28 9 1 :DOWN) (27 8 1 :DOWN) (26 7 1 :UP) (6 39 2) (5 39 2) (4 38 2) (3 37 2) (2 25 2) (1 24 2))
STRUCTURE-ATOMS (C N O C C C C C O N O C C O C O O P O O O P O O O C C O C O C C C O O S O O O) (O O O O O O O O O O O O O O C C C C O O O O O C C C C C C C C C C C N N P P S)
DTDP-D-GLUCOSE dTDP-α-D-glucose STRUCTURE-BONDS ((31 34 1 :UP) (28 32 1) (27 29 1) (26 28 1) (26 27 1) (25 30 1) (24 34 1) (33 24 1) (23 33 1) (22 23 1) (21 36 1) (21 35 1) (20 36 1) (32 20 1 :DOWN) (19 32 1) (19 29 1) (18 31 1) (18 30 1) (17 35 1) (16 31 1) (16 25 1) (30 15 1 :UP) (15 17 1) (29 14 1 :UP) (34 13 1) (13 22 2) (12 36 1) (11 35 1) (28 10 1 :DOWN) (27 9 1 :DOWN) (26 8 1 :UP) (25 7 1 :DOWN) (6 14 1) (5 36 2) (4 35 2) (3 24 2) (2 23 2) (1 22 1)) ((31 34 1 :UP) (28 32 1) (27 29 1) (26 28 1) (26 27 1) (25 30 1) (24 34 1) (33 24 1) (23 33 1) (22 23 1) (21 36 1) (21 35 1) (20 36 1) (20 32 1) (19 32 1) (19 29 1) (18 31 1) (18 30 1) (17 35 1) (16 31 1) (16 25 1) (30 15 1 :UP) (15 17 1) (29 14 1 :UP) (34 13 1) (13 22 2) (12 36 1) (11 35 1) (28 10 1 :DOWN) (27 9 1 :DOWN) (26 8 1 :UP) (25 7 1 :DOWN) (6 14 1) (5 36 2) (4 35 2) (3 24 2) (2 23 2) (1 22 1))
GDP-D-GLUCOSE GDP-α-D-glucose ATOM-CHARGES ((25 -1) (22 -1)) ((12 -1) (11 -1))
DISPLAY-COORDS-2D ((43218 1974) (36543 -2876) (40669 9819) (44794 16964) (32418 9819) (28293 16964) (29869 1974) (22725 -2151) (14475 -2151) (-2025 -2151) (-18525 -2151) (-25670 1974) (-32815 -2152) (-39960 1974) (-32815 14349) (-32815 22599) (-25670 10224) (-39960 10224) (-47104 14349) (-10275 -10401) (-10275 -2151) (-10275 6099) (6225 -10401) (6225 -2151) (6225 6099) (-18525 14349) (38385 -13594) (38385 -21845) (51080 -17719) (24096 -13594) (16951 -9469) (24096 -21845) (31240 -9469) (46231 -11045) (46231 -24394) (31240 -25970) (31240 -34220) (-47104 -2151) (-54248 1974)) ((7261 -4114) (8684 -6582) (6011 -3384) (4367 -3384) (0 -2061) (714 -825) (7989 -1402) (2143 0) (3572 -825) (9784 -1396) (6009 -1740) (4367 -1740) (10677 -4931) (714 -2475) (7443 -3108) (10196 -5606) (8686 -4102) (6831 -2559) (2143 -2475) (8885 -3329) (3550 -2559) (5189 -2561) (7975 -4520) (8686 -5761) (9406 -5351) (9406 -4520) (1428 -2061) (8225 -2851) (1428 -1238) (8474 -2064) (2143 -825) (2857 -1238) (9298 -2064) (2857 -2061) (9552 -2851) (7975 -5351) (10194 -4272) (6010 -2561) (4367 -2561))
STRUCTURE-BONDS ((1 34 1 :UP) (2 1 1) (3 1 1) (2 7 1) (5 3 1) (3 4 1 :DOWN) (7 5 1) (5 6 1 :DOWN) (7 8 1 :UP) (8 9 1) (9 24 1) (24 10 1) (10 21 1) (21 11 1) (12 11 1) (17 12 1) (13 12 1) (13 14 1) (14 18 1) (14 38 1 :UP) (18 15 1) (15 17 1) (15 16 1 :UP) (17 26 1 :DOWN) (18 19 1 :DOWN) (21 20 2) (21 22 1) (24 23 2) (24 25 1) (36 32 1) (36 28 1) (32 30 1) (30 33 2) (33 27 1) (27 34 1) (28 27 2) (35 28 1) (35 29 2) (34 29 1) (30 31 1) (36 37 2) (38 39 1)) ((35 37 1 :UP) (33 35 1) (32 34 1) (31 32 1) (30 33 1) (29 31 1) (28 30 1) (27 29 1) (26 37 1) (25 26 2) (36 24 1) (24 25 1) (23 36 1) (22 39 1) (22 38 1) (21 39 1) (21 34 1 :DOWN) (20 35 1) (20 28 1) (19 34 1) (19 27 1) (18 38 1) (26 17 1) (17 23 2) (16 25 1) (28 15 1 :UP) (15 18 1) (27 14 1 :UP) (37 13 1) (13 16 2) (12 39 1) (11 38 1) (33 10 1 :DOWN) (32 9 1 :DOWN) (31 8 1 :UP) (30 7 1 :DOWN) (29 6 1 :DOWN) (5 14 1) (4 39 2) (3 38 2) (2 24 2) (1 23 1))
STRUCTURE-ATOMS (C O C O C O C C O O O C O C C O C C O O P O O P O O C C C C N N N N N C O C O) (N O O O O O O O O O O O C C C N N O O O O O C C C C C C C C C C C C C N N P P)
CPD-663 UDP-4-dehydro-6-deoxy-D-glucose DISPLAY-COORDS-2D ((0 -252040) (0 -86960) (910450 -528080) (767600 -280030) (533650 -334230) (368550 -334230) (142160 -4640) (690720 0) (285680 -86970) (870240 -320) (533310 -169250) (368550 -169250) (983020 -404340) (983020 -320930) (633760 -170920) (616170 -251530) (142150 -252050) (778140 -193500) (285680 -252050) (451050 -251740) (70620 -128570) (910680 -445590) (839240 -320930) (70620 -210880) (142150 -86960) (739000 -67120) (214140 -128580) (821360 -67120) (712360 -145850) (214140 -210890) (845880 -144170) (839240 -404340) (910360 -278340) (533540 -251740) (368550 -251740)) ((0 -252040) (0 -86960) (910460 -528090) (767610 -280030) (533660 -334240) (368560 -334240) (142160 -4640) (690730 0) (285680 -86970) (870250 -320) (533320 -169250) (368560 -169250) (983040 -404350) (983040 -320940) (633770 -170920) (616180 -251530) (142150 -252050) (778150 -193500) (285680 -252050) (451060 -251740) (70620 -128570) (910690 -445600) (839250 -320940) (70620 -210880) (142150 -86960) (739010 -67120) (214140 -128580) (821370 -67120) (712370 -145850) (214140 -210890) (845890 -144170) (839250 -404350) (910370 -278340) (533550 -251740) (368560 -251740))
STRUCTURE-BONDS ((31 33 1 :UP) (28 31 1) (27 30 1) (26 29 1) (26 28 1) (25 27 1) (23 33 1) (32 23 1) (22 32 1) (21 25 1) (21 24 1) (20 35 1) (20 34 1) (19 35 1) (30 19 1 :DOWN) (18 31 1) (18 29 1) (17 30 1) (17 24 1) (16 34 1) (29 15 1 :UP) (15 16 1) (33 14 1) (13 22 1) (14 13 2) (12 35 1) (11 34 1) (28 10 1 :DOWN) (27 9 1 :DOWN) (26 8 1 :DOWN) (25 7 1 :UP) (6 35 2) (5 34 2) (4 23 2) (3 22 2) (2 21 2) (24 1 1 :UP)) ((31 33 1 :UP) (28 31 1) (27 30 1) (26 29 1) (26 28 1) (25 27 1) (23 33 1) (32 23 1) (22 32 1) (21 25 1) (21 24 1) (20 35 1) (20 34 1) (19 35 1) (30 19 1 :UP) (18 31 1) (18 29 1) (17 30 1) (17 24 1) (16 34 1) (29 15 1 :UP) (15 16 1) (33 14 1) (13 22 1) (14 13 2) (12 35 1) (11 34 1) (28 10 1 :DOWN) (27 9 1 :DOWN) (26 8 1 :DOWN) (25 7 1 :UP) (6 35 2) (5 34 2) (4 23 2) (3 22 2) (2 21 2) (24 1 1 :UP))
PHOSPHORIBOSYL-ATP phosphoribosyl-ATP ATOM-CHARGES ((40 -1) (39 -1) (29 -1) (28 -1) (24 -1) (3 -1)) ((40 -1) (39 -1) (28 -1) (24 -1) (3 -1))
METHYLENE-THF 5,10-methylenetetrahydropteroyl mono-L-glutamate ATOM-CHARGES ((23 -1) (17 -1)) NIL
DISPLAY-COORDS-2D ((-698020 -1920) (-108590 -389860) (-821770 -73370) (-537260 -224860) (-322920 -266110) (-739270 69530) (-394370 -142370) (-322920 -348610) (-180030 -348610) (-945510 -144810) (-617330 -19070) (-465820 -266110) (34300 -224860) (-821770 -216250) (-739270 -73370) (-684070 -134680) (-251480 -389860) (-863010 -1920) (-1069260 -73370) (-821770 69530) (-608700 -101120) (-108590 -224860) (105750 -266110) (-537260 -142370) (-251480 -224860) (-180030 -266110) (-37150 -266110) (-394370 -224860) (-945510 -1920) (-863010 -144810) (-465820 -101120) (-986760 -73370) (34300 -142370) (-656770 69530)) ((-20457 -30222) (25372 -31050) (-35609 -30559) (-9681 -55814) (10355 -44533) (-20457 -21803) (-757 -41503) (10355 -36451) (30935 -37115) (-49921 -30559) (-15742 -37462) (-757 -55814) (36528 -64662) (-42849 -42849) (-28538 -34599) (-28538 -42849) (38869 -35279) (-35609 -22309) (-56992 -18268) (-28538 -18099) (-20120 -45207) (29030 -52671) (29159 -69073) (-13049 -48574) (18773 -48574) (28707 -44533) (36205 -56524) (3283 -48574) (-42849 -18268) (-42849 -34599) (-9681 -41503) (-49921 -22309) (43648 -68829))
STRUCTURE-BONDS ((32 10 2) (31 7 1) (30 3 1) (29 32 1) (28 12 1) (27 22 1) (27 13 1) (26 22 1 :DOWN) (33 13 2) (25 5 1) (25 26 1) (24 31 2) (24 21 1) (23 13 1) (20 18 1) (20 6 1) (19 32 1) (18 29 1) (17 9 1) (16 21 1) (16 15 1) (15 1 1) (14 30 2) (12 4 2) (11 21 1) (10 30 1) (9 26 1) (8 5 2) (7 28 2) (6 1 1) (5 28 1) (4 24 1) (3 18 2) (3 15 1) (2 9 2) (1 11 1) (1 34 1 :DOWN)) ((32 10 2) (31 7 1) (30 3 1) (29 32 1) (28 12 1) (27 22 1) (27 13 1) (26 22 1 :UP) (33 13 2) (25 5 1) (25 26 1) (24 31 2) (24 21 1) (23 13 1) (20 18 1) (20 6 1) (19 32 1) (18 29 1) (17 9 1) (16 21 1) (16 15 1) (15 1 1) (14 30 2) (12 4 2) (11 21 1) (10 30 1) (9 26 1) (8 5 2) (7 28 2) (6 1 1) (5 28 1) (4 24 1) (3 18 2) (3 15 1) (2 9 2) (1 11 1 :UP))
STRUCTURE-ATOMS (C O C C C C C O C N C C C O N C O C N N N C O C N C C C N C C C O H) (C O C C C C C O C N C C C O N C O C N N N C O C N C C C N C C C O)
10-FORMYL-THF 10-formyl-tetrahydrofolate ATOM-CHARGES ((8 -1) (7 -1)) NIL
5-METHYL-THF 5-methyl-tetrahydrofolate ATOM-CHARGES ((8 -1) (7 -1)) NIL
DISPLAY-COORDS-2D ((28910 -25322) (523 0) (91285 -58297) (89756 -15976) (73607 -17506) (14289 -25322) (103353 -50989) (102333 -23113) (54062 -37903) (54402 -23623) (62559 -37903) (62559 -23623) (90605 -44022) (94344 -37223) (42165 -17166) (35877 -4928) (14289 -680) (42165 -30590) (28910 -680) (82448 -30590) (95024 -50989) (94004 -23113) (73607 -25832) (49984 -30590) (7321 -4928) (66468 -30936) (21767 -4928) (21767 -12915) (14289 -16995) (90096 -30590) (35877 -12915) (28910 -16995) (7321 -12915)) ((28909 -25321) (523 0) (91282 -58295) (89753 -15975) (73604 -17505) (14289 -25321) (103349 -50987) (102329 -23112) (54060 -37902) (54400 -23622) (62557 -37902) (62557 -23622) (90602 -44020) (94341 -37222) (42164 -17165) (35876 -4928) (14289 -680) (42164 -30589) (28909 -680) (82445 -30589) (95021 -50987) (94001 -23112) (73604 -25831) (49982 -30589) (7321 -4928) (66466 -30935) (21766 -4928) (21766 -12915) (14289 -16994) (90093 -30589) (35876 -12915) (28909 -16994) (7321 -12915))
THF tetrahydrofolate DISPLAY-COORDS-2D ((560 -4517) (10617 -11408) (9944 -7688) (9104 -7088) (1961 -7008) (9188 -11393) (10645 -8934) (7686 -6247) (6958 -7476) (6976 -5826) (6248 -7056) (9917 -10163) (9207 -9743) (4128 -4970) (4828 -6215) (1989 -4533) (3418 -4549) (8376 -8316) (3399 -6199) (9907 -10988) (9935 -8513) (8386 -7492) (1270 -4938) (7676 -7072) (6257 -6231) (2699 -4954) (2689 -5779) (1970 -6183) (9216 -8918) (5547 -5810) (1261 -5763) (4118 -5794)) ((627 0) (91329 -58698) (89858 -16075) (74222 -17551) (14342 -25661) (103556 -53088) (102684 -23302) (62721 -38199) (62721 -23890) (54163 -38199) (54606 -23890) (90890 -44243) (94576 -37461) (36023 -5161) (40890 -21531) (14342 -883) (29088 -883) (82630 -30824) (29088 -17252) (95315 -51177) (94282 -23302) (74222 -26104) (7409 -5161) (66700 -31117) (50183 -30973) (21863 -5161) (21863 -13122) (14342 -17252) (90297 -30824) (40890 -30973) (7409 -13122) (36023 -13122))
STRUCTURE-BONDS ((28 31 1) (27 28 1) (26 27 2) (25 30 1) (31 23 1) (22 24 1) (21 29 1) (19 32 1) (19 27 1) (29 18 1 :UP) (18 22 1) (17 26 1) (16 26 1) (23 16 2) (32 15 1 :UP) (15 30 1) (14 32 1) (14 17 1) (29 13 1) (12 20 1) (12 13 1) (25 11 1) (10 25 2) (9 24 1) (11 9 2) (24 8 2) (8 10 1) (7 21 1) (6 20 1) (5 28 2) (4 22 2) (3 21 2) (2 20 2) (1 23 1)) ((28 31 1) (27 28 1) (26 27 2) (25 30 1) (31 23 2) (22 24 1) (21 29 1) (19 32 1) (19 27 1) (18 29 1) (18 22 1) (17 26 1) (16 26 1) (23 16 1) (32 15 1 :UP) (15 30 1) (14 32 1) (14 17 1) (29 13 1 :UP) (12 20 1) (12 13 1) (25 11 1) (10 25 2) (9 24 1) (11 9 2) (24 8 2) (8 10 1) (7 21 1) (6 20 1) (5 28 2) (4 22 2) (3 21 2) (2 20 2) (1 23 1))
DIHYDROFOLATE 7,8-dihydrofolate monoglutamate ATOM-CHARGES ((7 -1) (6 -1)) ((7 -1))
ASCORBATE L-ascorbate ATOM-CHARGES ((2 -1)) ((6 -1) (5 -1))
DISPLAY-COORDS-2D ((0 0) (-8974 19370) (8974 19370) (6674 4849) (14521 2300) (4125 12695) (-4125 12695) (-28109 724) (-20964 4849) (-13819 724) (-13819 -7526) (-6674 4849) (-13819 8974)) ((-70020 -60330) (1800 -19730) (-21540 64180) (-117670 64070) (-141080 -18430) (-158900 135510) (36800 122520) (81490 -41090) (-212530 -59680) (-283980 -18430) (-355430 -59680) (-212530 -142180))
STRUCTURE-BONDS ((1 4 1) (12 1 1) (7 2 1) (6 3 1) (4 5 2) (4 6 1) (6 7 2) (12 7 1) (8 9 1) (9 10 1) (10 12 1) (10 11 1 :DOWN) (12 13 1 :DOWN)) ((4 6 1) (3 7 1) (2 8 2) (4 5 1) (3 4 2) (2 3 1) (1 5 1) (1 2 1) (5 9 1) (9 10 1) (10 11 1) (9 12 1 :DOWN))
STRUCTURE-ATOMS (O O O C O C C O C C O C H) (O C C C C O O O C C O O)
CPD-8843 (3R,6E)-nerolidol DISPLAY-COORDS-2D ((-22187 -6437) (-15043 -18812) (-22187 -22938) (-29332 -18812) (-29332 -10562) (-22187 1813) (-29332 5938) (-15043 5938) (-22187 -31188) (-7898 -22938) (-753 -18811) (13536 -18811) (20680 -22937) (558 -28771) (6391 -22937) (12225 -28771)) ((-22187 -6437) (-15043 -18812) (-22187 -22937) (-29331 -18812) (-29331 -10562) (-22187 1813) (-29331 5938) (-15043 5938) (-22187 -31187) (-7898 -22937) (-753 -18811) (13536 -18811) (20680 -22936) (558 -28770) (6391 -22936) (12225 -28770))
STRUCTURE-BONDS ((15 16 1 :DOWN) (15 14 1 :UP) (12 13 2) (15 12 1) (11 15 1) (10 11 1) (2 10 1) (3 9 1) (6 8 1) (6 7 1) (1 6 2) (4 5 1) (3 4 1) (2 3 2) (1 5 1)) ((15 16 1) (15 14 1) (12 13 2) (15 12 1) (11 15 1) (10 11 1) (2 10 1) (3 9 1) (6 8 1) (6 7 1) (1 6 2) (4 5 1) (3 4 1) (2 3 2) (1 5 1))
STRUCTURE-ATOMS (C C C C C C C C C C C C C O C C) (C C C C C C C C C C C C C C C O)
CPD-7417 cis-coumarinic acid-β-D-glucoside STRUCTURE-BONDS ((21 23 1) (21 22 2) (20 21 1) (19 20 2) (18 19 1) (11 15 1) (10 11 1 :UP) (9 14 1 :DOWN) (8 13 1 :UP) (7 12 1 :DOWN) (8 7 1) (9 8 1) (10 9 1) (16 10 1) (16 6 1) (7 6 1) (6 17 1 :UP) (5 17 1) (4 18 1) (18 5 2) (5 3 1) (3 2 2) (1 4 2) (2 1 1)) ((21 23 1) (21 22 2) (20 21 1) (19 20 2) (18 19 1) (11 15 1) (10 11 1 :UP) (9 14 1 :DOWN) (8 13 1 :UP) (7 12 1 :DOWN) (8 7 1) (9 8 1) (10 9 1) (16 10 1) (16 6 1) (7 6 1) (17 6 1 :UP) (5 17 1) (4 18 1) (18 5 2) (5 3 1) (3 2 2) (1 4 2) (2 1 1))
CPD-8098 cis-caffeate ATOM-CHARGES (13 -1) (11 -1)
DISPLAY-COORDS-2D ((-5657 -4316) (-6372 -3904) (-6372 -3079) (-5657 -2666) (-4943 -3079) (-4943 -3904) (-4228 -4316) (-5657 -5142) (-5657 -1842) (-6372 -1429) (-7086 -1842) (-7086 -2666) (-7801 -1429)) ((-74070 -201460) (-143630 -157100) (-139990 -74680) (-66790 -36620) (2770 -80980) (-880 -163400) (68680 -207770) (141880 -169710) (211440 -214070) (284630 -176020) (207800 -296490) (-200690 -38770) (-66790 45880))
STRUCTURE-BONDS ((1 2 2) (2 3 1) (3 4 2) (4 5 1) (5 6 2) (1 6 1) (6 7 1) (1 8 1) (4 9 1) (9 10 2) (10 11 1) (11 12 2) (11 13 1)) ((12 3 1) (9 11 1) (9 10 2) (8 9 1) (7 8 2) (7 6 1) (1 6 2) (5 6 1) (4 5 2) (3 4 1) (2 3 2) (1 2 1) (4 13 1))
STRUCTURE-ATOMS (C C C C C C O O C C C O O) (C C C C C C C C C O O O O)
CPD-676 trans-caffeate STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 2) (4 5 1) (6 5 2) (5 7 1) (6 10 1) (7 8 2) (8 9 1) (9 10 2) (2 11 2) (8 12 1) (9 13 1)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (6 5 2) (5 7 1) (6 10 1) (7 8 2) (8 9 1) (9 10 2) (2 11 2) (8 12 1) (9 13 1))
CPDQT-419 8-methylthiooctyldesulfoglucosinolate DISPLAY-COORDS-2D ((78669 -6795) (71591 -11034) (64381 -7024) (57303 -11262) (50093 -7252) (43017 -11490) (35808 -7479) (35676 769) (42753 5008) (42622 13257) (49699 17496) (56909 13485) (35412 17268) (35281 25517) (28334 13029) (21125 17040) (28466 4780) (21388 542) (43148 -19739) (50357 -23749) (85879 -10805) (92957 -6566) (100166 -10576) (107244 -6337) (114453 -10348)) ((31444 -22316) (24490 -20288) (13909 -33329) (11739 -11739) (36514 -24779) (30575 -34055) (11156 -26374) (25648 -28838) (-12029 -17099) (-20288 -13040) (-29127 -17099) (-2753 -13040) (32170 -27965) (18257 -25212) (5653 -15214) (5653 -22026) (19273 -33039) (18836 -11739) (10144 -36661) (-36661 -13040) (-43681 -17374) (-50944 -13462) (-58277 -17795) (-65541 -13883) (-72248 -18218))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (6 7 1) (8 7 1 :DOWN) (8 9 1) (9 10 1) (10 11 1 :DOWN) (11 12 1) (10 13 1) (13 14 1 :UP) (13 15 1) (15 16 1 :DOWN) (15 17 1) (8 17 1) (17 18 1 :UP) (6 19 2) (19 20 1) (1 21 1) (21 22 1) (22 23 1) (23 24 1) (24 25 1)) ((17 3 1) (17 7 1) (16 7 1) (15 4 2) (15 16 1) (13 5 1) (13 8 1) (12 15 1) (12 9 1) (11 20 1) (10 11 1) (9 10 1) (8 6 1) (8 17 1) (7 14 1) (4 18 1) (3 19 1) (2 1 1) (2 14 1) (2 13 1) (20 21 1) (21 22 1) (22 23 1) (23 24 1) (24 25 1))
STRUCTURE-ATOMS (C C C C C C S C O C C O C O C O C O N O C C C S C) (O C C N O O C C C C C C C O C S C O O C C C C S C)
CPD-674 trans-cinnamate DISPLAY-COORDS-2D ((7973 -3794) (7560 -4508) (6735 -4508) (6323 -3794) (6735 -3079) (7560 -3079) (6323 -2365) (5498 -2365) (5085 -1650) (4260 -1650) (5498 -936)) ((7973 -3794) (7560 -4508) (6735 -4508) (6323 -3794) (6735 -3079) (7560 -3079) (6323 -2365) (5498 -2365) (5085 -1650) (4260 -1650) (5498 -936) (5085 -3079) (6735 -1650))
STRUCTURE-BONDS ((1 2 2) (2 3 1) (3 4 2) (4 5 1) (5 6 2) (6 1 1) (5 7 1) (7 8 2) (8 9 1) (9 10 1) (9 11 2)) ((1 2 2) (2 3 1) (3 4 2) (4 5 1) (5 6 2) (6 1 1) (5 7 1) (7 8 2) (8 9 1) (9 10 1) (9 11 2) (8 12 1) (7 13 1))
STRUCTURE-ATOMS (C C C C C C C C C O O) (C C C C C C C C C O O H H)
CPD-9870 2-methoxy-6-all trans-nonaprenyl-2-methoxy-1,4-benzoquinol DISPLAY-COORDS-2D ((25373002 -20625998) (53951996 -20625998) (82531000 -20625998) (111111000 -20625000) (139690000 -20625000) (168269008 -20625000) (196847984 -20624002) (225428016 -20624002) (32516000 -8253000) (61098000 -8253000) (89675000 -8253000) (118254000 -8252000) (146835008 -8252000) (175414016 -8252000) (203992992 -8250000) (232572000 -8250000) (39662000 -12378000) (68241000 -12378000) (96821000 -12378000) (125400000 -12377000) (153978992 -12377000) (182558992 -12377000) (211138992 -12376000) (239717008 -12376000) (46807000 -8253000) (75387000 -8253000) (103965000 -8252000) (132544000 -8252000) (161124992 -8252000) (189703008 -8252000) (218283008 -8250000) (25372000 -12378000) (53951996 -12378000) (82531000 -12378000) (111111000 -12377000) (139690000 -12377000) (168268000 -12377000) (196847984 -12376000) (225428016 -12376000) (246861984 -8250000) (260905984 413000) (246622016 -3000) (254124000 -12165999) (254124000 -20414000) (261146000 -7834000) (268288992 -11960000) (268288992 -20208002) (253644016 4328000) (253644016 12579000) (18227000 -8253000) (-3206000 -20627000) (3937000 -8253000) (11083000 -12378000) (-3207000 -12378000) (-10351000 -8253000)) ((25373002 -20625998) (53951000 -20625998) (82530000 -20625998) (111110000 -20625000) (139688000 -20625000) (168267008 -20625000) (196846016 -20624002) (225426000 -20624002) (32516000 -8253000) (61097004 -8253000) (89673992 -8253000) (118253000 -8252000) (146833008 -8252000) (175412000 -8252000) (203990992 -8250000) (232569008 -8250000) (39662000 -12378000) (68240000 -12378000) (96820000 -12378000) (125399000 -12377000) (153977008 -12377000) (182556992 -12377000) (211137008 -12376000) (239714000 -12376000) (46806000 -8253000) (75386000 -8253000) (103964008 -8252000) (132543000 -8252000) (161123008 -8252000) (189701008 -8252000) (218281008 -8250000) (25372000 -12378000) (53951000 -12378000) (82530000 -12378000) (111110000 -12377000) (139688000 -12377000) (168265984 -12377000) (196846016 -12376000) (225426000 -12376000) (246858992 -8250000) (260902992 413000) (246618992 -3000) (254120992 -12165999) (254120992 -20414000) (261142992 -7834000) (268286000 -11960000) (268286000 -20208002) (253640992 4328000) (253640992 12579000) (18227000 -8253000) (-3206000 -20627000) (3937000 -8253000) (11083000 -12378000) (-3207000 -12378000) (-10351000 -8253000))
STRUCTURE-BONDS ((46 47 1) (43 44 1) (48 42 2) (41 48 1) (45 41 2) (43 45 1) (40 43 2) (42 40 1) (50 32 1) (1 32 1) (2 33 1) (3 34 1) (4 35 1) (5 36 1) (6 37 1) (7 38 1) (8 39 1) (9 17 1) (9 32 2) (10 18 1) (10 33 2) (11 19 1) (11 34 2) (12 20 1) (12 35 2) (13 21 1) (13 36 2) (14 22 1) (14 37 2) (15 23 1) (15 38 2) (16 24 1) (16 39 2) (17 25 1) (18 26 1) (19 27 1) (20 28 1) (21 29 1) (22 30 1) (23 31 1) (24 40 1) (25 33 1) (26 34 1) (27 35 1) (28 36 1) (29 37 1) (30 38 1) (31 39 1) (45 46 1) (48 49 1) (53 50 1) (55 54 1) (51 54 1) (52 53 1) (52 54 2)) ((46 47 1) (43 44 1) (48 42 1) (41 48 1) (45 41 2) (43 45 1) (40 43 1) (42 40 2) (50 32 1) (1 32 1) (2 33 1) (3 34 1) (4 35 1) (5 36 1) (6 37 1) (7 38 1) (8 39 1) (9 17 1) (9 32 2) (10 18 1) (10 33 2) (11 19 1) (11 34 2) (12 20 1) (12 35 2) (13 21 1) (13 36 2) (14 22 1) (14 37 2) (15 23 1) (15 38 2) (16 24 1) (16 39 2) (17 25 1) (18 26 1) (19 27 1) (20 28 1) (21 29 1) (22 30 1) (23 31 1) (24 40 1) (25 33 1) (26 34 1) (27 35 1) (28 36 1) (29 37 1) (30 38 1) (31 39 1) (45 46 1) (48 49 1) (53 50 1) (55 54 1) (51 54 1) (52 53 1) (52 54 2))
CPD-9872 6-methoxy-5-methyl-2-all-trans-nonaprenyl-1,4-benzoquinol DISPLAY-COORDS-2D ((12589 -31062) (41166 -31384) (70051 -31705) (98316 -32031) (126890 -32353) (155466 -32675) (184042 -32999) (212765 -33322) (226901 -8897) (241432 0) (241709 -33737) (19873 -18769) (48450 -19091) (77024 -19414) (105598 -19737) (134174 -20060) (162750 -20382) (191324 -20705) (219898 -21028) (248687 -12547) (26971 -22974) (55547 -23296) (84121 -23620) (112695 -23942) (141272 -24265) (169847 -24588) (198422 -24911) (226996 -25233) (34162 -18930) (62736 -19252) (91312 -19576) (119886 -19898) (148461 -20221) (177038 -20543) (205612 -20867) (12682 -22812) (41259 -23135) (69833 -23458) (98409 -23781) (126983 -24103) (155559 -24426) (184134 -24749) (212708 -25072) (234186 -12824) (248687 -21190) (234186 -21190) (241432 -8365) (241432 -27046) (256209 -27046) (256209 -35296) (5585 -18607) (-15987 -30739) (-8703 -18446) (-1605 -22651) (-15893 -22489) (-22990 -18284)) ((12589 -31062) (41166 -31384) (70051 -31705) (98316 -32031) (126891 -32353) (155467 -32675) (184043 -32999) (212766 -33322) (226902 -8897) (241433 0) (241710 -33737) (19873 -18769) (48450 -19091) (77024 -19414) (105598 -19737) (134175 -20060) (162751 -20382) (191325 -20705) (219899 -21028) (248688 -12547) (26971 -22974) (55547 -23296) (84121 -23620) (112696 -23942) (141273 -24265) (169848 -24588) (198423 -24911) (226997 -25233) (34162 -18930) (62736 -19252) (91312 -19576) (119887 -19898) (148462 -20221) (177039 -20543) (205613 -20867) (12682 -22812) (41259 -23135) (69833 -23458) (98409 -23781) (126984 -24103) (155560 -24426) (184135 -24749) (212709 -25072) (234187 -12824) (248688 -21190) (234187 -21190) (241433 -8365) (241433 -27046) (256210 -27046) (256210 -35296) (5585 -18607) (-15987 -30739) (-8703 -18446) (-1605 -22651) (-15893 -22489) (-22990 -18284))
STRUCTURE-BONDS ((49 50 1) (1 36 1) (51 36 1) (2 37 1) (3 38 1) (4 39 1) (5 40 1) (6 41 1) (7 42 1) (8 43 1) (9 44 1) (10 47 1) (11 48 1) (12 21 1) (12 36 2) (13 22 1) (13 37 2) (14 23 1) (14 38 2) (15 24 1) (15 39 2) (16 25 1) (16 40 2) (17 26 1) (17 41 2) (18 27 1) (18 42 2) (19 28 1) (19 43 2) (20 45 2) (20 47 1) (21 29 1) (22 30 1) (23 31 1) (24 32 1) (25 33 1) (26 34 1) (27 35 1) (28 46 1) (29 37 1) (30 38 1) (31 39 1) (32 40 1) (33 41 1) (34 42 1) (35 43 1) (49 45 1) (44 46 1) (44 47 2) (45 48 1) (46 48 2) (54 51 1) (52 55 1) (56 55 1) (53 54 1) (53 55 2)) ((49 50 1) (1 36 1) (51 36 1) (2 37 1) (3 38 1) (4 39 1) (5 40 1) (6 41 1) (7 42 1) (8 43 1) (9 44 1) (10 47 1) (11 48 1) (12 21 1) (12 36 2) (13 22 1) (13 37 2) (14 23 1) (14 38 2) (15 24 1) (15 39 2) (16 25 1) (16 40 2) (17 26 1) (17 41 2) (18 27 1) (18 42 2) (19 28 1) (19 43 2) (20 45 2) (20 47 1) (21 29 1) (22 30 1) (23 31 1) (24 32 1) (25 33 1) (26 34 1) (27 35 1) (28 46 1) (29 37 1) (30 38 1) (31 39 1) (32 40 1) (33 41 1) (34 42 1) (35 43 1) (49 45 1) (44 46 2) (44 47 1) (45 48 1) (46 48 1) (54 51 1) (52 55 1) (56 55 1) (53 54 1) (53 55 2))
INDOLE-3-GLYCEROL-P (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate ATOM-CHARGES ((19 -1) (17 -1)) ((10 -1) (8 -1))
DISPLAY-COORDS-2D ((10094 5603) (10592 4954) (9309 5389) (9301 4511) (10098 4278) (8592 5771) (8595 4121) (7878 4503) (7893 5358) (9945 2793) (10357 3507) (11595 2793) (11182 3507) (11595 4222) (12420 4222) (13245 4222) (14070 4222) (13245 3397) (13245 5047)) ((-10214 15509) (-18062 4823) (2175 -17588) (-10214 8985) (17212 -4539) (2175 -4823) (17022 8795) (9837 -17588) (2175 -12105) (-5579 -17588) (2365 15509) (-18062 19765) (9930 5675) (-25344 15793) (9930 -1703) (-25344 8701) (-3878 19101) (2365 8985) (2175 -25344))
STRUCTURE-BONDS ((5 11 1) (2 1 1) (3 1 1) (5 2 2) (4 3 2) (6 3 1) (5 4 1) (7 4 1) (9 6 2) (8 7 2) (9 8 1) (11 10 1 :DOWN) (11 13 1) (13 12 1 :DOWN) (13 14 1) (14 15 1) (15 16 1) (16 17 1) (16 18 2) (16 19 1)) ((18 4 1) (17 11 1) (16 14 1) (15 13 1) (14 12 2) (13 7 1) (13 18 1) (12 1 1) (11 18 2) (10 3 1) (9 6 1) (6 15 1) (5 15 1) (4 2 1) (3 19 2) (3 8 1) (3 9 1) (2 16 2) (1 4 2) (1 17 1))
STRUCTURE-ATOMS (N C C C C C C C C O C O C C O P O O O) (C C P C O C O O O O C C C C C C N C O)
CIS-3-HEXENAL cis-3-hexenal DISPLAY-COORDS-2D ((16067 2347) (23211 -1778) (30356 2347) (38606 2347) (45750 -1778) (52894 2347) (60039 -1778)) ((-10748 -2468) (4849 -7799) (-4907 -7799) (10577 -2580) (16988 -7799) (-17044 -7799) (16988 -17044))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 2) (4 5 1) (5 6 1) (6 7 2)) ((6 1 1) (5 7 2) (4 5 1) (3 2 2) (2 4 1) (1 3 1))
NADH NADH ATOM-CHARGES ((11 -1) (10 -1)) ((39 -1) (4 -1))
DISPLAY-COORDS-2D ((0 -17074) (115524 -54130) (7143 -4696) (88800 -22764) (72335 -22824) (108566 -2961) (52084 0) (126520 -2914) (34131 0) (88776 -6348) (72306 -6324) (21436 -29446) (14292 -25324) (108440 -33473) (28585 -25324) (135458 -37583) (21436 -12946) (103128 -20006) (56912 -18672) (108440 -41770) (115548 -29279) (130648 -44325) (97008 -14538) (64074 -14574) (117510 -22213) (43105 -19372) (80585 -14556) (7143 -12946) (115548 -45874) (14292 -17074) (122745 -41770) (122745 -33473) (113412 -9584) (47233 -6677) (121662 -9584) (38983 -6677) (110917 -17439) (49781 -14520) (124199 -17439) (36428 -14520) (130624 -30996) (28585 -17074) (88794 -14556) (72324 -14574)) ((22303 -49062) (59841 -29360) (5392 -41628) (5392 -56308) (27878 -60582) (-38466 -23416) (-51105 -28249) (27878 -65044) (33822 -30108) (-65044 -28249) (-27507 -44419) (50174 -29360) (-36054 -39768) (41998 -53895) (-31781 -54825) (24157 -53895) (33822 -39586) (-31781 -50363) (-40139 -50363) (32522 -48503) (-58350 -8547) (13938 -49062) (-11519 -41628) (-65044 -20255) (-44230 -31410) (64673 -34752) (50174 -39586) (-51105 -20255) (5392 -49062) (-40139 -54825) (-44230 -16723) (-11519 -49062) (-44230 -44419) (41998 -44041) (64855 -24157) (-58350 -31781) (-23975 -49804) (37166 -65044) (-11519 -56308) (-58350 -16170) (-17841 -49062) (-2791 -49062) (37166 -60582) (42558 -25458))
STRUCTURE-BONDS ((40 42 1 :DOWN) (39 41 1 :UP) (36 40 1) (35 39 1) (34 38 1) (34 36 1) (33 37 1) (33 35 1) (41 32 1) (32 31 2) (31 29 1) (28 30 1) (27 44 1) (27 43 1) (26 40 1) (26 38 1) (25 39 1) (25 37 1) (24 44 1) (23 43 1) (31 22 1) (21 32 1) (29 20 2) (38 19 1 :DOWN) (19 24 1) (37 18 1 :UP) (18 23 1) (17 42 1) (30 17 2) (16 41 1) (22 16 2) (42 15 1) (14 21 2) (20 14 1) (13 30 1) (15 12 2) (12 13 1) (11 44 1) (10 43 1) (36 9 1 :UP) (35 8 1 :DOWN) (34 7 1 :UP) (33 6 1 :DOWN) (5 44 2) (4 43 2) (3 28 2) (2 29 1) (1 28 1)) ((44 12 1) (43 5 1) (42 32 1) (41 37 1) (40 24 1) (39 32 1) (38 43 1) (37 11 1) (36 7 2) (35 2 2) (34 14 1) (34 17 1) (33 25 1) (33 19 1) (32 41 1) (31 28 1) (30 19 1) (29 42 1) (28 40 2) (28 7 1) (27 34 1) (26 2 1) (25 6 1) (24 10 2) (23 32 2) (22 29 1) (21 40 1) (20 16 1) (18 19 1) (16 1 1) (16 5 1) (15 18 1) (14 20 1) (14 43 1) (13 33 1) (12 27 2) (11 13 1) (11 18 1) (10 36 1) (9 17 2) (9 44 1) (8 5 1) (7 25 1) (6 31 2) (4 29 1) (3 29 2) (2 12 1) (1 22 1))
STRUCTURE-ATOMS (N N O O O O O O O O O C C C C C C C C N N N O O O O O C C C C C C C C C C C C C N N P P) (C C O O C C C O C C C C O C O C C C C O N O O N N N C C P O N P C N O N C O O C O O C C)
CPD-7158 3-demethylubiquinol-9 ATOM-CHARGES NIL (14 -1)
STRUCTURE-BONDS ((1 2 1) (1 3 1) (2 4 2) (3 5 2) (3 6 1) (4 7 1) (4 8 1) (5 9 1) (5 10 1) (6 11 1) (6 12 2) (7 13 1) (10 14 1) (10 15 2) (12 16 1) (13 17 1) (15 18 1) (17 19 2) (18 20 1) (19 21 1) (19 22 1) (21 23 1) (23 24 1) (24 25 2) (25 26 1) (25 27 1) (26 28 1) (28 29 1) (29 30 2) (30 31 1) (30 32 1) (31 33 1) (33 34 1) (34 35 2) (35 36 1) (35 37 1) (36 38 1) (38 39 1) (39 40 2) (40 41 1) (40 42 1) (41 43 1) (43 44 1) (44 45 2) (45 46 1) (45 47 1) (46 48 1) (48 49 1) (49 50 2) (50 51 1) (50 52 1) (51 53 1) (53 54 1) (54 55 2) (55 56 1) (55 57 1) (12 15 1)) ((1 2 1) (1 3 1) (2 4 2) (3 5 1) (3 6 2) (4 7 1) (4 8 1) (5 9 1) (5 10 1) (6 11 1) (6 12 1) (7 13 1) (10 14 1) (10 15 2) (12 16 1) (13 17 1) (15 18 1) (17 19 2) (18 20 1) (19 21 1) (19 22 1) (21 23 1) (23 24 1) (24 25 2) (25 26 1) (25 27 1) (26 28 1) (28 29 1) (29 30 2) (30 31 1) (30 32 1) (31 33 1) (33 34 1) (34 35 2) (35 36 1) (35 37 1) (36 38 1) (38 39 1) (39 40 2) (40 41 1) (40 42 1) (41 43 1) (43 44 1) (44 45 2) (45 46 1) (45 47 1) (46 48 1) (48 49 1) (49 50 2) (50 51 1) (50 52 1) (51 53 1) (53 54 1) (54 55 2) (55 56 1) (55 57 1) (12 15 1))
PHENYL-PYRUVATE keto-phenylpyruvate DISPLAY-COORDS-2D ((-8494 -4836) (-8494 -29586) (-8494 -13086) (5795 11664) (-1350 7539) (-1350 -25461) (5795 -4836) (-1350 -711) (-15639 -17211) (-1350 -17211) (-15639 -25461) (-8494 11664)) ((-1692 -387) (-1692 2357) (-1692 580) (-1692 -2370) (-1076 -1862) (-1040 1801) (-435 -423) (-1076 -907) (-2370 1052) (-1076 1052) (-2370 1801) (-435 -2309))
CH3-MALONATE-S-ALD (S)-methylmalonate-semialdehyde ATOM-CHARGES (6 -1) (7 -1)
DISPLAY-COORDS-2D ((3973 -2643) (-10663 -3254) (-3434 9008) (-3434 989) (3973 -10663) (10627 1816) (-10663 -11504)) ((3973 -2643) (-10661 -3254) (-3434 9008) (-3434 989) (-10661 4764) (3973 -10661) (10625 1816))
STRUCTURE-BONDS ((6 1 1) (5 1 2) (4 1 1) (4 3 1 :UP) (2 4 1) (2 7 2)) ((7 1 1) (6 1 2) (4 1 1) (3 4 1) (2 5 2) (2 4 1))
SIROHEME siroheme ATOM-CHARGES ((61 -1) (55 -1) (48 -1) (42 -1) (38 -1) (32 -1) (28 -1) (20 -1)) NIL
CPD-9038 precorrin-1 DISPLAY-COORDS-2D ((26002 -139664) (33237 -135538) (43630 -133157) (39389 -137829) (33237 -127196) (45222 -120404) (41155 -127243) (41287 -113464) (44304 -107803) (33287 -113361) (18855 -126966) (18855 -135538) (12954 -137830) (8324 -132877) (11511 -126968) (20525 -106461) (20685 -113199) (11978 -113047) (9972 -107466) (14628 -102498) (38313 -101632) (33395 -106144) (27626 -102839) (51762 -134557) (38363 -94949) (14797 -93556) (4140 -140031) (11118 -145874) (57039 -128214) (65170 -129613) (68023 -137354) (44046 -92918) (45788 -86287) (42158 -81687) (17166 -151486) (15330 -159529) (21378 -165141) (336 -130771) (42666 -146511) (2490 -105155) (-5474 -136629) (-3307 -144591) (50798 -148560) (57409 -143623) (-6916 -107834) (-9845 -115549) (7640 -88438) (-1351 -90430) (-1499 -96661) (-8617 -86519) (-12134 -101442) (7444 -161962) (70447 -123271) (54000 -85504) (-13453 -134525) (51768 -156753) (52473 -107585) (59301 -102019) (58705 -93791) (66726 -105617) (7281 -119884)) ((26002 -139666) (33237 -135540) (43631 -133159) (39390 -137831) (33237 -127198) (45223 -120406) (41156 -127245) (41288 -113466) (44305 -107805) (33287 -113363) (18855 -126968) (18855 -135540) (12954 -137832) (8324 -132879) (11511 -126970) (20525 -106463) (20685 -113201) (11978 -113049) (9972 -107468) (14628 -102499) (38314 -101633) (33395 -106146) (27626 -102840) (51763 -134559) (38364 -94950) (14797 -93557) (4140 -140033) (11118 -145876) (57040 -128216) (65171 -129615) (68024 -137356) (44047 -92919) (45789 -86288) (42159 -81688) (17166 -151488) (15330 -159531) (21378 -165143) (336 -130773) (42667 -146513) (2490 -105157) (-5474 -136631) (-3307 -144593) (50799 -148562) (57410 -143625) (-6916 -107836) (-9845 -115551) (7640 -88439) (-1351 -90431) (-1499 -96662) (-8617 -86520) (-12134 -101443) (7444 -161964) (70448 -123273) (54001 -85505) (-13453 -134527) (51769 -156755) (52474 -107587) (59302 -102020) (58706 -93792) (66727 -105619) (7281 -119886))
STRUCTURE-BONDS ((2 1 1) (12 1 1) (4 2 2) (2 5 1) (3 24 1) (3 4 1) (7 3 2) (4 39 1) (5 7 1) (6 7 1) (8 6 1) (9 8 2) (8 10 1) (21 9 1) (10 22 1) (15 11 1) (11 12 2) (13 12 1) (13 28 1 :DOWN) (14 13 1) (14 38 1 :UP) (14 27 1 :DOWN) (15 14 1) (16 20 2) (17 16 1) (16 23 1) (18 17 1) (19 18 2) (19 40 1) (20 19 1) (20 26 1) (21 25 1) (22 21 2) (22 23 1) (24 29 1) (25 32 1) (26 47 1) (28 35 1) (29 30 1) (30 31 2) (30 53 1) (32 33 1) (33 34 2) (33 54 1) (35 36 1) (36 52 1) (36 37 2) (38 41 1) (39 43 1) (40 45 1) (41 42 2) (41 55 1) (43 44 2) (43 56 1) (45 46 2) (45 51 1) (47 48 1) (48 49 2) (48 50 1) (9 57 1) (57 58 1) (58 60 1) (58 59 2) (15 61 2) (61 18 1)) ((2 1 1) (12 1 1) (4 2 2) (2 5 1) (3 24 1) (3 4 1) (7 3 2) (4 39 1) (5 7 1) (6 7 1) (8 6 1) (9 8 2) (8 10 1) (21 9 1) (10 22 1) (15 11 1) (11 12 2) (13 12 1) (13 28 1 :DOWN) (14 13 1) (14 38 1 :UP) (14 27 1 :DOWN) (15 14 1) (16 20 2) (17 16 1) (16 23 1) (18 17 1) (19 18 2) (19 40 1 :UP) (20 19 1) (20 26 1) (21 25 1 :DOWN) (22 21 2) (22 23 1) (24 29 1) (25 32 1) (26 47 1) (28 35 1) (29 30 1) (30 31 2) (30 53 1) (32 33 1) (33 34 2) (33 54 1) (35 36 1) (36 52 1) (36 37 2) (38 41 1) (39 43 1) (40 45 1) (41 42 2) (41 55 1) (43 44 2) (43 56 1) (45 46 2) (45 51 1) (47 48 1) (48 49 2) (48 50 1) (9 57 1) (57 58 1) (58 60 1) (58 59 2) (15 61 2) (61 18 1))
DIHYDROSIROHYDROCHLORIN precorrin-2 ATOM-CHARGES ((61 -1) (58 -1) (56 -1) (50 -1) (44 -1) (32 -1) (24 -1) (22 -1) (13 1)) ((61 -1) (57 -1) (56 -1) (55 -1) (54 -1) (53 -1) (52 -1) (51 -1) (5 1))
DISPLAY-COORDS-2D ((9990 4718) (9258 4327) (10741 4437) (9856 5528) (8661 4907) (9268 3503) (11476 4746) (9038 5655) (7834 4903) (8352 4145) (8558 3088) (12186 4324) (11651 5552) (8644 6414) (7429 4186) (8568 2261) (12804 4873) (12183 3490) (11393 4118) (12471 5627) (9038 7169) (6605 4179) (7844 3473) (7861 1842) (9285 1856) (13627 4869) (12896 3078) (12780 6394) (8661 7910) (9852 7290) (14032 4152) (12896 2254) (13614 3486) (12450 7156) (9254 8480) (7851 8044) (9986 8106) (14860 4145) (12807 7907) (11633 7269) (9248 9307) (7563 8813) (10741 8388) (15269 3428) (15279 4859) (12207 8466) (13603 7688) (11483 8079) (8524 9722) (6753 8950) (8084 9448) (12286 9287) (14188 8264) (8520 10554) (13041 9630) (14984 8048) (13982 9064) (7810 10959) (9230 10966) (13116 10454) (12440 10928) (13876 10794)) ((26002 -139668) (33237 -135542) (43632 -133161) (39391 -137833) (33237 -127200) (45224 -120408) (41157 -127247) (41289 -113467) (44306 -107806) (33287 -113364) (18855 -126970) (18855 -135542) (12954 -137834) (8324 -132881) (11511 -126972) (20525 -106464) (20685 -113202) (11978 -113050) (9972 -107469) (14628 -102500) (38314 -101634) (33395 -106147) (27626 -102841) (36566 -143622) (51764 -134561) (38364 -94951) (14797 -93558) (4140 -140035) (11118 -145878) (57041 -128218) (65172 -129617) (68025 -137358) (44048 -92920) (45790 -86289) (42160 -81689) (17166 -151490) (15330 -159533) (21378 -165145) (336 -130775) (42668 -146515) (2490 -105158) (-5474 -136633) (-3307 -144595) (50800 -148564) (57411 -143627) (-6916 -107837) (-9845 -115552) (7640 -88440) (-1351 -90432) (-1499 -96663) (-8617 -86521) (-12134 -101444) (7444 -161966) (70449 -123275) (54002 -85506) (-13453 -134529) (51770 -156757) (52475 -107588) (59303 -102021) (58707 -93793) (66728 -105620) (7281 -119888))
STRUCTURE-BONDS ((1 2 1) (1 3 1) (1 4 2) (2 5 1) (2 6 1 :DOWN) (3 7 2) (4 8 1) (5 9 1 :UP) (5 10 1 :DOWN) (6 11 1) (7 12 1) (7 13 1) (8 14 2) (9 15 1) (11 16 1) (12 17 1) (12 18 1 :UP) (12 19 1 :DOWN) (13 20 1) (14 21 1) (15 22 1) (15 23 2) (16 24 1) (16 25 2) (17 26 1 :DOWN) (18 27 1) (20 28 2) (21 29 2) (21 30 1) (26 31 1) (27 32 1) (27 33 2) (28 34 1) (29 35 1) (29 36 1) (30 37 1) (31 38 1) (34 39 2) (34 40 1) (35 41 1) (36 42 1) (37 43 1) (38 44 1) (38 45 2) (39 46 1) (39 47 1) (40 48 1) (41 49 1) (42 50 1) (42 51 2) (46 52 1) (47 53 1) (49 54 1) (52 55 1) (53 56 1) (53 57 2) (54 58 1) (54 59 2) (55 60 1) (60 61 1) (60 62 2) (5 8 1) (17 20 1) (35 37 2) (43 48 1) (46 48 2)) ((62 18 1) (15 62 2) (59 60 2) (59 61 1) (58 59 1) (9 58 1) (49 51 1) (49 50 2) (48 49 1) (46 52 1) (46 47 2) (44 57 1) (44 45 2) (42 56 1) (42 43 2) (41 46 1) (40 44 1) (39 42 1) (37 38 2) (37 53 1) (36 37 1) (34 55 1) (34 35 2) (33 34 1) (31 54 1) (31 32 2) (30 31 1) (29 36 1) (27 48 1) (26 33 1) (25 30 1) (22 23 1) (22 21 2) (21 26 1 :DOWN) (20 27 1) (20 19 1) (19 41 1 :UP) (19 18 2) (18 17 1) (16 23 1) (17 16 1) (16 20 2) (15 14 1) (14 28 1 :DOWN) (14 39 1 :UP) (14 13 1) (13 29 1 :DOWN) (13 12 1) (11 12 2) (15 11 1) (10 22 1) (21 9 1) (8 10 1) (9 8 2) (8 6 1) (6 7 2) (5 7 1) (4 24 1 :DOWN) (4 40 1 :UP) (7 3 1) (3 4 1) (3 25 1 :DOWN) (2 5 1) (4 2 1) (12 1 1) (2 1 2))
STRUCTURE-ATOMS (C C C N C C C C C C C C N C C C C C C C C O O O O C C C C N C O O C C C C C C N C C C O O C C C C O O C C C C O O O O C O O) (C C C C N C C C C N N C C C C C N C C C C C C C C C C C C C C O C C O C C O C C C C O C O C O C C O O O O O O O O C C O O C)
GLYCERATE D-glycerate ATOM-CHARGES (5 -1) NIL
DISPLAY-COORDS-2D ((-19608 -1530) (-12465 -5655) (-5320 -1530) (1825 -5655) (8969 -1530) (1825 -13905) (-5320 6720)) ((-19609 -1530) (-12465 -5655) (-5320 -1530) (1825 -5655) (8969 -1530) (1825 -13905) (-5320 6720))
2-PG 2-phospho-D-glycerate ATOM-CHARGES ((10 -1) (9 -1) (5 -1)) ((10 -1) (9 -1))
CPD-7015 7-hydroxy-chlorophyllide a AROMATIC-RINGS NIL ((13 25 35 36 24) (10 12 11 22 9))
DISPLAY-COORDS-2D ((-16487 -7096) (-7096 -16696) (0 -20870) (7305 -16696) (16696 -7096) (20871 0) (16696 7096) (7305 16697) (-7096 16697) (-16487 7096) (-20661 0) (8557 -8557) (8557 8557) (-8348 8557) (-20244 -14609) (14610 -20453) (20662 14609) (-14400 -20453) (-16535 -28422) (-24504 -30557) (20662 -14609) (-8348 -8557) (0 0) (0 20871) (14610 20453) (12475 28840) (16600 35985) (2135 28840) (-10240 35985) (-1990 35985) (2135 43129) (-14400 20453) (-14400 28703) (-21545 32828) (-21545 41078) (-14400 45203) (-28690 45203) (-20244 14609) (10385 43129) (28631 16744) (-28213 16744) (-28213 -16744) (16745 -28422) (34464 -10910) (28631 -16744) (24714 -30557)) ((31025 -62099) (36108 -68598) (43859 -65772) (43567 -57527) (22781 -62391) (50066 -52445) (50701 -70382) (50129 -78612) (18405 -55396) (10156 -55515) (14097 -42763) (7493 -47707) (48914 -44275) (13977 -34512) (5404 -62260) (-2813 -61516) (20597 -30313) (32924 -25190) (27558 -18923) (19941 -22088) (35637 -55257) (20841 -47514) (28622 -32229) (42241 -39423) (55591 -39429) (62939 -43179) (12901 -17786) (29476 -10897) (22982 -6235) (22350 822) (14761 4055) (-389 -45270) (31509 -44879) (28946 5779) (52794 -32329) (44551 -32668) (41681 -24933) (48152 -19813) (55019 -24384) (47813 -11570) (54444 1088) (62754 -21516) (54783 -7156) (40505 -7742) (33838 -76530) (39573 -82461))
STRUCTURE-BONDS ((1 22 1) (15 1 2) (1 11 1) (2 3 1) (22 2 1) (18 2 2) (3 4 2) (4 12 1) (16 4 1) (5 6 1) (12 5 2) (21 5 1) (6 7 2) (7 13 1) (7 17 1) (8 24 2) (25 8 1) (13 8 1) (9 24 1) (14 9 2) (32 9 1) (10 11 2) (14 10 1) (38 10 1) (23 13 1) (18 15 1) (16 21 2) (17 25 2) (38 32 1) (18 19 1) (19 20 2) (22 23 1) (24 28 1) (25 26 1) (28 26 1) (26 27 2) (28 30 1 :DOWN) (30 29 2) (30 31 1) (34 33 1) (32 33 1 :UP) (34 35 1) (35 37 1) (35 36 2) (31 39 1) (17 40 1) (38 41 1 :DOWN) (15 42 1) (16 43 1) (21 45 1) (44 45 1) (43 46 1) (23 12 :COORDINATION) (23 14 :COORDINATION)) ((45 46 1) (43 41 1) (40 44 2) (40 43 1) (39 42 2) (38 40 1) (38 39 1) (37 38 1) (37 36 2) (36 35 :AROMATIC) (35 39 1) (30 31 2) (30 34 1) (29 30 1) (28 29 1) (25 26 1) (35 25 :AROMATIC) (33 24 1) (24 36 :AROMATIC) (23 33 :COORDINATION) (33 22 1) (21 33 :COORDINATION) (20 27 1 :DOWN) (19 28 1 :UP) (20 19 1) (18 37 1) (18 19 1) (23 18 2) (17 20 1) (17 23 1) (15 16 2) (14 17 2) (25 13 :AROMATIC) (13 24 :AROMATIC) (12 32 1) (11 14 1) (11 12 :AROMATIC) (22 11 :AROMATIC) (10 15 1) (12 10 :AROMATIC) (9 22 :AROMATIC) (10 9 :AROMATIC) (7 8 1) (6 13 2) (5 9 1) (4 6 1) (4 21 2) (3 7 1) (3 4 1) (2 45 1) (2 3 2) (1 5 2) (1 21 1) (1 2 1))
STRUCTURE-ATOMS (C C C C C C C C C C C N N N C C C C C C C N MG C C C O C O C O C C C C O O C C C C C C C C O) (C C C C C C C C C C C C C C C C C C C C N N N N C C C C C C O C MG O C C C C C C C O O O C O)
CPD-7014 chlorophyllide b AROMATIC-RINGS NIL ((13 25 35 36 24) (10 12 11 22 9))
ATOM-CHARGES (39 -1) NIL
DISPLAY-COORDS-2D ((-16487 -7096) (-7096 -16696) (0 -20870) (7305 -16696) (16696 -7096) (20871 0) (16696 7096) (7305 16697) (-7096 16697) (-16487 7096) (-20661 0) (8557 -8557) (8557 8557) (-8348 8557) (-20244 -14609) (14610 -20453) (20662 14609) (-14400 -20453) (-16535 -28422) (-24504 -30557) (20662 -14609) (-8348 -8557) (0 0) (16745 -28422) (10911 -34256) (0 20871) (14610 20453) (12475 28840) (16600 35985) (2135 28840) (-10240 35985) (-1990 35985) (2135 43129) (-14400 20453) (-14400 28703) (-21545 32828) (-21545 41078) (-14400 45203) (-28690 45203) (-20244 14609) (10385 43129) (28631 16744) (-28213 -16744) (-28213 16744) (34464 -10910) (28631 -16744)) ((31025 -62099) (36108 -68598) (43859 -65772) (43567 -57527) (22781 -62391) (50066 -52445) (50701 -70382) (50129 -78612) (18405 -55396) (10156 -55515) (14097 -42763) (7493 -47707) (48914 -44275) (13977 -34512) (5404 -62260) (-2813 -61516) (20597 -30313) (32924 -25190) (27558 -18923) (19941 -22088) (35637 -55257) (20841 -47514) (28622 -32229) (42241 -39423) (55591 -39429) (62939 -43179) (12901 -17786) (29476 -10897) (22982 -6235) (22350 822) (14761 4055) (-389 -45270) (31509 -44879) (28946 5779) (52794 -32329) (44551 -32668) (41681 -24933) (48152 -19813) (55019 -24384) (47813 -11570) (54444 1088) (62754 -21516) (54783 -7156) (40505 -7742) (33838 -76530) (39573 -82461))
STRUCTURE-BONDS ((1 22 1) (15 1 1) (1 11 2) (2 3 2) (22 2 1) (18 2 1) (3 4 1) (4 12 2) (16 4 1) (5 6 2) (12 5 1) (21 5 1) (6 7 1) (7 13 1) (7 17 2) (8 26 1) (27 8 2) (13 8 1) (9 26 2) (14 9 1) (34 9 1) (10 11 1) (14 10 2) (40 10 1) (23 13 1) (18 15 2) (16 21 2) (16 24 1) (17 27 1) (40 34 1) (18 19 1) (19 20 2) (22 23 1) (24 25 2) (26 30 1) (27 28 1) (30 28 1) (28 29 2) (30 32 1) (32 31 2) (32 33 1) (36 35 1) (34 35 1 :UP) (36 37 1) (37 39 1) (37 38 2) (33 41 1) (17 42 1) (15 43 1) (40 44 1 :DOWN) (21 46 1) (45 46 1) (23 12 :COORDINATION) (23 14 :COORDINATION)) ((45 46 2) (43 41 1) (40 44 2) (40 43 1) (39 42 2) (38 40 1) (38 39 1) (37 38 1) (37 36 2) (36 35 :AROMATIC) (35 39 1) (30 31 2) (30 34 1) (29 30 1) (28 29 1) (25 26 1) (35 25 :AROMATIC) (33 24 1) (24 36 :AROMATIC) (23 33 :COORDINATION) (33 22 1) (21 33 :COORDINATION) (20 27 1 :DOWN) (19 28 1 :UP) (20 19 1) (18 37 1) (18 19 1) (23 18 2) (17 20 1) (17 23 1) (15 16 2) (14 17 2) (25 13 :AROMATIC) (13 24 :AROMATIC) (12 32 1) (11 14 1) (11 12 :AROMATIC) (22 11 :AROMATIC) (10 15 1) (12 10 :AROMATIC) (9 22 :AROMATIC) (10 9 :AROMATIC) (7 8 1) (6 13 2) (5 9 1) (4 6 1) (4 21 2) (3 7 1) (3 4 1) (2 45 1) (2 3 2) (1 5 2) (1 21 1) (1 2 1))
STRUCTURE-ATOMS (C C C C C C C C C C C N N N C C C C C C C N MG C O C C C O C O C O C C C C O O C C C C C C C) (C C C C C C C C C C C C C C C C C C C C N N N N C C C C C C O C MG O C C C C C C C O O O C O)
CPD-7016 7-hydroxy-chlorophyll a AROMATIC-RINGS NIL ((29 31 30 41 28) (32 44 54 55 43))
DISPLAY-COORDS-2D ((-16487 -7096) (-7096 -16696) (0 -20870) (7305 -16696) (16696 -7096) (20871 0) (16696 7096) (7305 16697) (-7096 16697) (-16487 7096) (-20661 0) (8557 -8557) (8557 8557) (-8348 8557) (-20244 -14609) (-28213 -16744) (14610 -20453) (20662 14609) (28630 16744) (-14400 -20453) (-16535 -28422) (-24504 -30557) (20662 -14609) (-8348 -8557) (0 0) (28630 -16744) (16745 -28422) (0 20871) (14610 20453) (12475 28840) (16600 35985) (2135 28840) (-10240 35985) (-1990 35985) (2135 43129) (10385 43129) (-14400 20453) (-14400 28703) (-21545 32828) (-21545 41078) (-14400 45203) (-28690 45203) (-35834 41078) (-42979 45202) (-50124 41077) (-57269 45202) (-50123 32827) (-64414 41076) (-71556 45201) (-78701 41075) (-85846 45200) (-78701 32824) (-92990 41075) (-100135 45199) (-107279 41074) (-114424 45198) (-107279 32823) (-121568 41073) (-128714 45198) (-135857 41072) (-135856 32822) (-143002 45197) (-20244 14609) (-28213 16744) (24714 -30557) (30765 -24713)) ((33104 20412) (41351 20163) (45258 12897) (45690 27180) (53935 26931) (58274 33948) (66521 33700) (70428 26434) (70860 40717) (79105 40468) (83444 47485) (91691 47236) (96029 54253) (104275 54004) (108614 61021) (116860 60772) (121199 67789) (120767 53506) (95598 39970) (31025 -62099) (36108 -68598) (43859 -65772) (43567 -57527) (22781 -62391) (50066 -52445) (50701 -70382) (50129 -78612) (18405 -55396) (10156 -55515) (14097 -42763) (7493 -47707) (48914 -44275) (13977 -34512) (5404 -62260) (-2813 -61516) (20597 -30313) (32924 -25190) (27558 -18923) (19941 -22088) (35637 -55257) (20841 -47514) (28622 -32229) (42241 -39423) (55591 -39429) (62939 -43179) (12901 -17786) (29476 -10897) (22982 -6235) (22350 822) (14761 4055) (-389 -45270) (31509 -44879) (28946 5779) (52794 -32329) (44551 -32668) (41681 -24933) (48152 -19813) (55019 -24384) (47813 -11570) (54444 1088) (62754 -21516) (54783 -7156) (40505 -7742) (28766 13395) (33838 -76530) (39573 -82461))
STRUCTURE-BONDS ((1 24 1) (15 1 2) (1 11 1) (2 3 1) (24 2 1) (20 2 2) (3 4 2) (4 12 1) (17 4 1) (5 6 1) (12 5 2) (23 5 1) (6 7 2) (7 13 1) (7 18 1) (8 28 2) (29 8 1) (13 8 1) (9 28 1) (14 9 2) (37 9 1) (10 11 2) (14 10 1) (63 10 1) (25 13 1) (20 15 1) (15 16 1) (17 23 2) (17 27 1) (18 29 2) (18 19 1) (63 37 1) (20 21 1) (21 22 2) (23 26 1) (24 25 1) (28 32 1) (29 30 1) (32 30 1) (30 31 2) (32 34 1 :DOWN) (34 33 2) (34 35 1) (35 36 1) (39 38 1) (37 38 1 :UP) (39 40 1) (40 42 1) (40 41 2) (43 42 1) (44 43 1) (45 44 2) (46 45 1) (47 45 1) (48 46 1) (49 48 1) (50 49 1) (51 50 1) (50 52 1 :UP) (53 51 1) (54 53 1) (55 54 1) (56 55 1) (55 57 1 :UP) (58 56 1) (59 58 1) (60 59 1) (61 60 1) (62 60 1) (63 64 1 :DOWN) (12 25 :COORDINATION) (14 25 :COORDINATION) (27 65 1) (26 66 1)) ((65 66 1) (64 53 1) (62 60 1) (59 63 2) (59 62 1) (58 61 2) (57 59 1) (57 58 1) (56 57 1) (56 55 2) (55 54 :AROMATIC) (54 58 1) (49 50 2) (49 53 1) (48 49 1) (47 48 1) (44 45 1) (54 44 :AROMATIC) (52 43 1) (43 55 :AROMATIC) (42 52 :COORDINATION) (52 41 1) (40 52 :COORDINATION) (39 46 1 :DOWN) (38 47 1 :UP) (39 38 1) (37 56 1) (37 38 1) (42 37 2) (36 39 1) (36 42 1) (34 35 2) (33 36 2) (44 32 :AROMATIC) (32 43 :AROMATIC) (31 51 1) (30 33 1) (30 31 :AROMATIC) (41 30 :AROMATIC) (29 34 1) (31 29 :AROMATIC) (28 41 :AROMATIC) (29 28 :AROMATIC) (26 27 1) (25 32 2) (24 28 1) (23 25 1) (23 40 2) (22 26 1) (22 23 1) (21 65 1) (21 22 2) (20 24 2) (20 40 1) (20 21 1) (12 19 1 :DOWN) (16 18 1) (16 17 1) (15 16 1) (14 15 1) (13 14 1) (12 13 1) (11 12 1) (10 11 1) (9 10 1) (7 8 1 :DOWN) (7 9 1) (6 7 1) (5 6 1) (4 5 1) (2 3 1) (2 4 1) (1 2 2) (64 1 1))
STRUCTURE-ATOMS (C C C C C C C C C C C N N N C C C C C C C C C N MG C C C C C O C O C O C C C C C O O C C C C C C C C C C C C C C C C C C C C C C O C) (C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C N N N N C C C C C C O C MG O C C C C C C C O O O C C O)
CHLOROPHYLL-B chlorophyll b AROMATIC-RINGS NIL ((29 31 30 41 28) (32 44 54 55 43))
DISPLAY-COORDS-2D ((-16487 -7096) (-7096 -16696) (0 -20870) (7305 -16696) (16696 -7096) (20871 0) (16696 7096) (7305 16697) (-7096 16697) (-16487 7096) (-20661 0) (8557 -8557) (8557 8557) (-8348 8557) (-20244 -14609) (-28213 -16744) (14610 -20453) (20662 14609) (28630 16744) (-14400 -20453) (-16535 -28422) (-24504 -30557) (20662 -14609) (-8348 -8557) (0 0) (28630 -16744) (34464 -10910) (16745 -28422) (10911 -34256) (24714 -30557) (0 20871) (14610 20453) (12475 28840) (16600 35985) (2135 28840) (-10240 35985) (-1990 35985) (2135 43129) (10385 43129) (-14400 20453) (-14400 28703) (-21545 32828) (-21545 41078) (-14400 45203) (-28690 45203) (-35834 41078) (-42979 45202) (-50124 41077) (-57269 45202) (-50123 32827) (-64414 41076) (-71556 45201) (-78701 41075) (-85846 45200) (-78701 32824) (-92989 41075) (-100134 45199) (-107278 41074) (-114423 45198) (-107278 32823) (-121567 41073) (-128713 45198) (-135856 41072) (-135855 32822) (-143001 45197) (-20244 14609) (-28213 16744)) ((33104 20412) (41351 20163) (45258 12897) (45690 27180) (53935 26931) (58274 33948) (66521 33700) (70428 26434) (70860 40717) (79105 40468) (83444 47485) (91691 47236) (96029 54253) (104275 54004) (108614 61021) (116860 60772) (121199 67789) (120767 53506) (95598 39970) (31025 -62099) (36108 -68598) (43859 -65772) (43567 -57527) (22781 -62391) (50066 -52445) (50701 -70382) (50129 -78612) (18405 -55396) (10156 -55515) (14097 -42763) (7493 -47707) (48914 -44275) (13977 -34512) (5404 -62260) (-2813 -61516) (20597 -30313) (32924 -25190) (27558 -18923) (19941 -22088) (35637 -55257) (20841 -47514) (28622 -32229) (42241 -39423) (55591 -39429) (62939 -43179) (12901 -17786) (29476 -10897) (22982 -6235) (22350 822) (14761 4055) (-389 -45270) (31509 -44879) (28946 5779) (52794 -32329) (44551 -32668) (41681 -24933) (48152 -19813) (55019 -24384) (47813 -11570) (54444 1088) (62754 -21516) (54783 -7156) (40505 -7742) (28766 13395) (33838 -76530) (39573 -82461))
STRUCTURE-BONDS ((1 24 1) (15 1 2) (1 11 1) (2 3 1) (24 2 1) (20 2 2) (3 4 2) (4 12 1) (17 4 1) (5 6 1) (12 5 2) (23 5 1) (6 7 2) (7 13 1) (7 18 1) (8 31 2) (32 8 1) (13 8 1) (9 31 1) (14 9 2) (40 9 1) (10 11 2) (14 10 1) (66 10 1) (25 13 1) (20 15 1) (15 16 1) (17 23 2) (17 28 1) (18 32 2) (18 19 1) (66 40 1) (20 21 1) (21 22 2) (23 26 1) (24 25 1) (26 27 1) (28 29 2) (28 30 1) (31 35 1) (32 33 1) (35 33 1) (33 34 2) (35 37 1 :DOWN) (37 36 2) (37 38 1) (38 39 1) (42 41 1) (40 41 1 :UP) (42 43 1) (43 45 1) (43 44 2) (46 45 1) (47 46 1) (48 47 2) (49 48 1) (50 48 1) (51 49 1) (52 51 1) (53 52 1) (54 53 1) (53 55 1 :UP) (56 54 1) (57 56 1) (58 57 1) (59 58 1) (58 60 1 :UP) (61 59 1) (62 61 1) (63 62 1) (64 63 1) (65 63 1) (66 67 1 :DOWN) (25 12 :COORDINATION) (25 14 :COORDINATION)) ((65 66 2) (64 53 1) (62 60 1) (59 63 2) (59 62 1) (58 61 2) (57 59 1) (57 58 1) (56 57 1) (56 55 2) (55 54 :AROMATIC) (54 58 1) (49 50 2) (49 53 1) (48 49 1) (47 48 1) (44 45 1) (54 44 :AROMATIC) (52 43 1) (43 55 :AROMATIC) (42 52 :COORDINATION) (52 41 1) (40 52 :COORDINATION) (39 46 1 :DOWN) (38 47 1 :UP) (39 38 1) (37 56 1) (37 38 1) (42 37 2) (36 39 1) (36 42 1) (34 35 2) (33 36 2) (44 32 :AROMATIC) (32 43 :AROMATIC) (31 51 1) (30 33 1) (30 31 :AROMATIC) (41 30 :AROMATIC) (29 34 1) (31 29 :AROMATIC) (28 41 :AROMATIC) (29 28 :AROMATIC) (26 27 1) (25 32 2) (24 28 1) (23 25 1) (23 40 2) (22 26 1) (22 23 1) (21 65 1) (21 22 2) (20 24 2) (20 40 1) (20 21 1) (12 19 1 :DOWN) (16 18 1) (16 17 1) (15 16 1) (14 15 1) (13 14 1) (12 13 1) (11 12 1) (10 11 1) (9 10 1) (7 8 1 :DOWN) (7 9 1) (6 7 1) (5 6 1) (4 5 1) (2 3 1) (2 4 1) (1 2 2) (64 1 1))
STRUCTURE-ATOMS (C C C C C C C C C C C N N N C C C C C C C C C N MG C C C O H C C C O C O C O C C C C C O O C C C C C C C C C C C C C C C C C C C C C C) (C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C N N N N C C C C C C O C MG O C C C C C C C O O O C C O)
CPD-7005 geranylgeranyl-chlorophyll a AROMATIC-RINGS NIL ((30 32 31 42 29) (33 45 55 56 44))
DISPLAY-COORDS-2D ((-16487 -7096) (-7096 -16696) (0 -20870) (7305 -16696) (16696 -7096) (20871 0) (16696 7096) (7305 16697) (-7096 16697) (-16487 7096) (-20661 0) (8557 -8557) (8557 8557) (-8348 8557) (-20244 -14609) (-28213 -16744) (14610 -20453) (20662 14609) (28630 16744) (-14400 -20453) (-16535 -28422) (-24504 -30557) (20662 -14609) (-8348 -8557) (0 0) (28630 -16744) (34464 -10910) (16745 -28422) (0 20871) (14610 20453) (12475 28840) (16600 35985) (2135 28840) (-10240 35985) (-1990 35985) (2135 43129) (10385 43129) (-14400 20453) (-14400 28703) (-21545 32828) (-21545 41078) (-14400 45203) (-28690 45203) (-35834 41078) (-42979 45202) (-50124 41077) (-57269 45202) (-50123 32827) (-64414 41076) (-71556 45201) (-78701 41075) (-85846 45200) (-78701 32824) (-92988 41075) (-100133 45199) (-107277 41074) (-114422 45198) (-107277 32823) (-121566 41073) (-128711 45198) (-135854 41072) (-135853 32822) (-142999 45197) (-20244 14609) (-28213 16744)) ((33104 20412) (41351 20163) (45258 12897) (45690 27180) (53935 26931) (58274 33948) (66521 33700) (70428 26434) (70860 40717) (79105 40468) (83444 47485) (91691 47236) (96029 54253) (104275 54004) (108614 61021) (116860 60772) (121199 67789) (120767 53506) (95598 39970) (31025 -62099) (36108 -68598) (43859 -65772) (43567 -57527) (22781 -62391) (50066 -52445) (50701 -70382) (50129 -78612) (33838 -76530) (18405 -55396) (10156 -55515) (14097 -42763) (7493 -47707) (48914 -44275) (13977 -34512) (5404 -62260) (-2813 -61516) (20597 -30313) (32924 -25190) (27558 -18923) (19941 -22088) (35637 -55257) (20841 -47514) (28622 -32229) (42241 -39423) (55591 -39429) (62939 -43179) (12901 -17786) (29476 -10897) (22982 -6235) (22350 822) (14761 4055) (-389 -45270) (31509 -44879) (28946 5779) (52794 -32329) (44551 -32668) (41681 -24933) (48152 -19813) (55019 -24384) (47813 -11570) (54444 1088) (62754 -21516) (54783 -7156) (40505 -7742) (28766 13395))
STRUCTURE-BONDS ((1 24 1) (15 1 2) (1 11 1) (2 3 1) (24 2 1) (20 2 2) (3 4 2) (4 12 1) (17 4 1) (5 6 1) (12 5 2) (23 5 1) (6 7 2) (7 13 1) (7 18 1) (8 29 2) (30 8 1) (13 8 1) (9 29 1) (14 9 2) (38 9 1) (10 11 2) (14 10 1) (64 10 1) (25 13 1) (20 15 1) (15 16 1) (17 23 2) (17 28 1) (18 30 2) (18 19 1) (64 38 1) (20 21 1) (21 22 2) (23 26 1) (24 25 1) (26 27 1) (29 33 1) (30 31 1) (33 31 1) (31 32 2) (33 35 1 :DOWN) (35 34 2) (35 36 1) (36 37 1) (40 39 1) (38 39 1 :UP) (40 41 1) (41 43 1) (41 42 2) (44 43 1) (45 44 1) (46 45 2) (47 46 1) (48 46 1) (49 47 1) (50 49 1) (51 50 2) (52 51 1) (51 53 1) (54 52 1) (55 54 1) (56 55 2) (57 56 1) (56 58 1) (59 57 1) (60 59 1) (61 60 2) (62 61 1) (63 61 1) (64 65 1 :DOWN) (12 25 :COORDINATION) (14 25 :COORDINATION)) ((65 54 1) (63 61 1) (60 64 2) (60 63 1) (59 62 2) (58 60 1) (58 59 1) (57 58 1) (57 56 2) (56 55 :AROMATIC) (55 59 1) (50 51 2) (50 54 1) (49 50 1) (48 49 1) (45 46 1) (55 45 :AROMATIC) (53 44 1) (44 56 :AROMATIC) (43 53 :COORDINATION) (53 42 1) (41 53 :COORDINATION) (40 47 1 :DOWN) (39 48 1 :UP) (40 39 1) (38 57 1) (38 39 1) (43 38 2) (37 40 1) (37 43 1) (35 36 2) (34 37 2) (45 33 :AROMATIC) (33 44 :AROMATIC) (32 52 1) (31 34 1) (31 32 :AROMATIC) (42 31 :AROMATIC) (30 35 1) (32 30 :AROMATIC) (29 42 :AROMATIC) (30 29 :AROMATIC) (26 27 1) (25 33 2) (24 29 1) (23 25 1) (23 41 2) (22 26 1) (22 23 1) (21 28 1) (21 22 2) (20 24 2) (20 41 1) (20 21 1) (12 19 1) (16 18 1) (16 17 1) (15 16 2) (14 15 1) (13 14 1) (12 13 1) (11 12 2) (10 11 1) (9 10 1) (7 8 1) (7 9 1) (6 7 2) (5 6 1) (4 5 1) (2 3 1) (2 4 1) (1 2 2) (65 1 1))
STRUCTURE-ATOMS (C C C C C C C C C C C N N N C C C C C C C C C N MG C C C C C C O C O C O C C C C C O O C C C C C C C C C C C C C C C C C C C C C C) (C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C N N N N C C C C C C O C MG O C C C C C C C O O O C)
CPD-7004 dihydrogeranylgeranyl-chlorophyll a AROMATIC-RINGS NIL ((30 32 31 42 29) (33 45 55 56 44))
DISPLAY-COORDS-2D ((-16487 -7096) (-7096 -16696) (0 -20870) (7305 -16696) (16696 -7096) (20871 0) (16696 7096) (7305 16697) (-7096 16697) (-16487 7096) (-20661 0) (8557 -8557) (8557 8557) (-8348 8557) (-20244 -14609) (-28213 -16744) (14610 -20453) (20662 14609) (28630 16744) (-14400 -20453) (-16535 -28422) (-24504 -30557) (20662 -14609) (-8348 -8557) (0 0) (28630 -16744) (34464 -10910) (16745 -28422) (0 20871) (14610 20453) (12475 28840) (16600 35985) (2135 28840) (-10240 35985) (-1990 35985) (2135 43129) (10385 43129) (-14400 20453) (-14400 28703) (-21545 32828) (-21545 41078) (-14400 45203) (-28690 45203) (-35834 41078) (-42979 45202) (-50124 41077) (-57269 45202) (-50123 32827) (-64414 41076) (-71556 45201) (-78701 41075) (-85846 45200) (-78701 32824) (-92988 41075) (-100133 45199) (-107277 41074) (-114422 45198) (-107277 32823) (-121566 41073) (-128712 45198) (-135855 41072) (-135854 32822) (-143000 45197) (-20244 14609) (-28213 16744)) ((33104 20412) (41351 20163) (45258 12897) (45690 27180) (53935 26931) (58274 33948) (66521 33700) (70428 26434) (70860 40717) (79105 40468) (83444 47485) (91691 47236) (96029 54253) (104275 54004) (108614 61021) (116860 60772) (121199 67789) (120767 53506) (95598 39970) (31025 -62099) (36108 -68598) (43859 -65772) (43567 -57527) (22781 -62391) (50066 -52445) (50701 -70382) (50129 -78612) (33838 -76530) (18405 -55396) (10156 -55515) (14097 -42763) (7493 -47707) (48914 -44275) (13977 -34512) (5404 -62260) (-2813 -61516) (20597 -30313) (32924 -25190) (27558 -18923) (19941 -22088) (35637 -55257) (20841 -47514) (28622 -32229) (42241 -39423) (55591 -39429) (62939 -43179) (12901 -17786) (29476 -10897) (22982 -6235) (22350 822) (14761 4055) (-389 -45270) (31509 -44879) (28946 5779) (52794 -32329) (44551 -32668) (41681 -24933) (48152 -19813) (55019 -24384) (47813 -11570) (54444 1088) (62754 -21516) (54783 -7156) (40505 -7742) (28766 13395))
STRUCTURE-BONDS ((1 24 1) (15 1 2) (1 11 1) (2 3 1) (24 2 1) (20 2 2) (3 4 2) (4 12 1) (17 4 1) (5 6 1) (12 5 2) (23 5 1) (6 7 2) (7 13 1) (7 18 1) (8 29 2) (30 8 1) (13 8 1) (9 29 1) (14 9 2) (38 9 1) (10 11 2) (14 10 1) (64 10 1) (25 13 1) (20 15 1) (15 16 1) (17 23 2) (17 28 1) (18 30 2) (18 19 1) (64 38 1) (20 21 1) (21 22 2) (23 26 1) (24 25 1) (26 27 1) (29 33 1) (30 31 1) (33 31 1) (31 32 2) (33 35 1 :DOWN) (35 34 2) (35 36 1) (36 37 1) (40 39 1) (38 39 1 :UP) (40 41 1) (41 43 1) (41 42 2) (44 43 1) (45 44 1) (46 45 2) (47 46 1) (48 46 1) (49 47 1) (50 49 1) (51 50 1) (52 51 1) (51 53 1 :UP) (54 52 1) (55 54 1) (56 55 2) (57 56 1) (56 58 1) (59 57 1) (60 59 1) (61 60 2) (62 61 1) (63 61 1) (64 65 1 :DOWN) (12 25 :COORDINATION) (14 25 :COORDINATION)) ((65 54 1) (63 61 1) (60 64 2) (60 63 1) (59 62 2) (58 60 1) (58 59 1) (57 58 1) (57 56 2) (56 55 :AROMATIC) (55 59 1) (50 51 2) (50 54 1) (49 50 1) (48 49 1) (45 46 1) (55 45 :AROMATIC) (53 44 1) (44 56 :AROMATIC) (43 53 :COORDINATION) (53 42 1) (41 53 :COORDINATION) (40 47 1 :DOWN) (39 48 1 :UP) (40 39 1) (38 57 1) (38 39 1) (43 38 2) (37 40 1) (37 43 1) (35 36 2) (34 37 2) (45 33 :AROMATIC) (33 44 :AROMATIC) (32 52 1) (31 34 1) (31 32 :AROMATIC) (42 31 :AROMATIC) (30 35 1) (32 30 :AROMATIC) (29 42 :AROMATIC) (30 29 :AROMATIC) (26 27 1) (25 33 2) (24 29 1) (23 25 1) (23 41 2) (22 26 1) (22 23 1) (21 28 1) (21 22 2) (20 24 2) (20 41 1) (20 21 1) (12 19 1) (16 18 1) (16 17 1) (15 16 2) (14 15 1) (13 14 1) (12 13 1) (11 12 2) (10 11 1) (9 10 1) (7 8 1 :DOWN) (7 9 1) (6 7 1) (5 6 1) (4 5 1) (2 3 1) (2 4 1) (1 2 2) (65 1 1))
STRUCTURE-ATOMS (C C C C C C C C C C C N N N C C C C C C C C C N MG C C C C C C O C O C O C C C C C O O C C C C C C C C C C C C C C C C C C C C C C) (C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C N N N N C C C C C C O C MG O C C C C C C C O O O C)
CPD-7006 tetrahydrogeranylgeranyl-chlorophyll a AROMATIC-RINGS NIL ((30 32 31 42 29) (33 45 55 56 44))
DISPLAY-COORDS-2D ((-16487 -7096) (-7096 -16696) (0 -20870) (7305 -16696) (16696 -7096) (20871 0) (16696 7096) (7305 16697) (-7096 16697) (-16487 7096) (-20661 0) (8557 -8557) (8557 8557) (-8348 8557) (-20244 -14609) (-28213 -16744) (14610 -20453) (20662 14609) (28630 16744) (-14400 -20453) (-16535 -28422) (-24504 -30557) (20662 -14609) (-8348 -8557) (0 0) (28630 -16744) (34464 -10910) (16745 -28422) (0 20871) (14610 20453) (12475 28840) (16600 35985) (2135 28840) (-10240 35985) (-1990 35985) (2135 43129) (10385 43129) (-14400 20453) (-14400 28703) (-21545 32828) (-21545 41078) (-14400 45203) (-28690 45203) (-35834 41078) (-42979 45202) (-50124 41077) (-57269 45202) (-50123 32827) (-64414 41076) (-71556 45201) (-78701 41075) (-85846 45200) (-78701 32824) (-92989 41075) (-100134 45199) (-107278 41074) (-114423 45198) (-107278 32823) (-121567 41073) (-128713 45198) (-135856 41072) (-135855 32822) (-143001 45197) (-20244 14609) (-28213 16744)) ((33104 20412) (41351 20163) (45258 12897) (45690 27180) (53935 26931) (58274 33948) (66521 33700) (70428 26434) (70860 40717) (79105 40468) (83444 47485) (91691 47236) (96029 54253) (104275 54004) (108614 61021) (116860 60772) (121199 67789) (120767 53506) (95598 39970) (31025 -62099) (36108 -68598) (43859 -65772) (43567 -57527) (22781 -62391) (50066 -52445) (50701 -70382) (50129 -78612) (33838 -76530) (18405 -55396) (10156 -55515) (14097 -42763) (7493 -47707) (48914 -44275) (13977 -34512) (5404 -62260) (-2813 -61516) (20597 -30313) (32924 -25190) (27558 -18923) (19941 -22088) (35637 -55257) (20841 -47514) (28622 -32229) (42241 -39423) (55591 -39429) (62939 -43179) (12901 -17786) (29476 -10897) (22982 -6235) (22350 822) (14761 4055) (-389 -45270) (31509 -44879) (28946 5779) (52794 -32329) (44551 -32668) (41681 -24933) (48152 -19813) (55019 -24384) (47813 -11570) (54444 1088) (62754 -21516) (54783 -7156) (40505 -7742) (28766 13395))
STRUCTURE-BONDS ((1 24 1) (15 1 2) (1 11 1) (2 3 1) (24 2 1) (20 2 2) (3 4 2) (4 12 1) (17 4 1) (5 6 1) (12 5 2) (23 5 1) (6 7 2) (7 13 1) (7 18 1) (8 29 2) (30 8 1) (13 8 1) (9 29 1) (14 9 2) (38 9 1) (10 11 2) (14 10 1) (64 10 1) (25 13 1) (20 15 1) (15 16 1) (17 23 2) (17 28 1) (18 30 2) (18 19 1) (64 38 1) (20 21 1) (21 22 2) (23 26 1) (24 25 1) (26 27 1) (29 33 1) (30 31 1) (33 31 1) (31 32 2) (33 35 1 :DOWN) (35 34 2) (35 36 1) (36 37 1) (40 39 1) (38 39 1 :UP) (40 41 1) (41 43 1) (41 42 2) (44 43 1) (45 44 1) (46 45 2) (47 46 1) (48 46 1) (49 47 1) (50 49 1) (51 50 1) (52 51 1) (51 53 1 :UP) (54 52 1) (55 54 1) (56 55 1) (57 56 1) (56 58 1 :UP) (59 57 1) (60 59 1) (61 60 2) (62 61 1) (63 61 1) (64 65 1 :DOWN) (12 25 :COORDINATION) (14 25 :COORDINATION)) ((65 54 1) (63 61 1) (60 64 2) (60 63 1) (59 62 2) (58 60 1) (58 59 1) (57 58 1) (57 56 2) (56 55 :AROMATIC) (55 59 1) (50 51 2) (50 54 1) (49 50 1) (48 49 1) (45 46 1) (55 45 :AROMATIC) (53 44 1) (44 56 :AROMATIC) (43 53 :COORDINATION) (53 42 1) (41 53 :COORDINATION) (40 47 1 :DOWN) (39 48 1 :UP) (40 39 1) (38 57 1) (38 39 1) (43 38 2) (37 40 1) (37 43 1) (35 36 2) (34 37 2) (45 33 :AROMATIC) (33 44 :AROMATIC) (32 52 1) (31 34 1) (31 32 :AROMATIC) (42 31 :AROMATIC) (30 35 1) (32 30 :AROMATIC) (29 42 :AROMATIC) (30 29 :AROMATIC) (26 27 1) (25 33 2) (24 29 1) (23 25 1) (23 41 2) (22 26 1) (22 23 1) (21 28 1) (21 22 2) (20 24 2) (20 41 1) (20 21 1) (12 19 1 :DOWN) (16 18 1) (16 17 1) (15 16 2) (14 15 1) (13 14 1) (12 13 1) (11 12 1) (10 11 1) (9 10 1) (7 8 1 :DOWN) (7 9 1) (6 7 1) (5 6 1) (4 5 1) (2 3 1) (2 4 1) (1 2 2) (65 1 1))
STRUCTURE-ATOMS (C C C C C C C C C C C N N N C C C C C C C C C N MG C C C C C C O C O C O C C C C C O O C C C C C C C C C C C C C C C C C C C C C C) (C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C N N N N C C C C C C O C MG O C C C C C C C O O O C)
HEME_O heme o ATOM-CHARGES ((41 -1) (38 -1)) NIL
DISPLAY-COORDS-2D ((96989 4599) (40446 -25811) (40321 5204) (84366 -39474) (100404 -34384) (89083 -11240) (48543 -10164) (68581 9378) (69047 -30783) (84313 17381) (53259 18070) (92104 20357) (45550 21252) (52990 -38571) (97300 -26643) (88739 3368) (48694 -24580) (84884 -3926) (52550 -17286) (75873 5524) (61755 -26928) (52590 -3064) (76157 -27151) (61460 5757) (85219 -18524) (82993 9146) (54441 -30358) (48581 4058) (83266 -31208) (54361 9803) (89043 -25461) (93424 28591) (44450 29518) (76814 -2747) (60815 -18274) (60281 -1930) (77527 -19275) (36741 32699) (86950 33851) (51060 34605) (101214 31566) (69064 -10625) (45153 -41420) (43718 -49545) (35965 -52364) (34530 -60489) (40849 -65794) (59309 -43875) (26777 -63309) (25342 -71433) (17588 -74253) (16153 -82376) (22473 -87681) (8400 -85196) (6965 -93321) (-788 -96140) (-2223 -104265) (-9976 -107084) (4095 -109569)) ((96990 4599) (40446 -25811) (40321 5204) (84367 -39474) (100405 -34384) (89084 -11240) (48543 -10164) (68581 9378) (69047 -30783) (84314 17381) (53259 18070) (92105 20357) (45550 21252) (52990 -38571) (97301 -26643) (88740 3368) (48694 -24580) (84885 -3926) (52550 -17286) (75873 5524) (61755 -26928) (52590 -3064) (76157 -27151) (61460 5757) (85220 -18524) (82994 9146) (54441 -30358) (48581 4058) (83267 -31208) (54361 9803) (89044 -25461) (93425 28591) (44450 29518) (76814 -2747) (60815 -18274) (60281 -1930) (77528 -19275) (36741 32699) (86951 33851) (51060 34605) (101215 31566) (69064 -10625) (45153 -41420) (43718 -49545) (35965 -52364) (34530 -60489) (40849 -65794) (59309 -43875) (26777 -63309) (25342 -71433) (17588 -74253) (16153 -82377) (22473 -87682) (8400 -85197) (6965 -93322) (-788 -96141) (-2223 -104266) (-9976 -107085) (4095 -109570))
CHLOROPHYLL-A chlorophyll a AROMATIC-RINGS NIL ((30 32 31 42 29) (33 45 55 56 44))
DISPLAY-COORDS-2D ((-16487 -7096) (-7096 -16696) (0 -20870) (7305 -16696) (16696 -7096) (20871 0) (16696 7096) (7305 16697) (-7096 16697) (-16487 7096) (-20661 0) (8557 -8557) (8557 8557) (-8348 8557) (-20244 -14609) (-28213 -16744) (14610 -20453) (20662 14609) (28630 16744) (-14400 -20453) (-16535 -28422) (-24504 -30557) (20662 -14609) (-8348 -8557) (0 0) (28630 -16744) (34464 -10910) (16745 -28422) (0 20871) (14610 20453) (12475 28840) (16600 35985) (2135 28840) (-10240 35985) (-1990 35985) (2135 43129) (10385 43129) (-14400 20453) (-14400 28703) (-21545 32828) (-21545 41078) (-14400 45203) (-28690 45203) (-35834 41078) (-42979 45202) (-50124 41077) (-57269 45202) (-50123 32827) (-64414 41076) (-71556 45201) (-78701 41075) (-85846 45200) (-78701 32824) (-92990 41075) (-100135 45199) (-107279 41074) (-114424 45198) (-107279 32823) (-121568 41073) (-128714 45198) (-135857 41072) (-135856 32822) (-143002 45197) (-20244 14609) (-28213 16744)) ((33104 20412) (41351 20163) (45258 12897) (45690 27180) (53935 26931) (58274 33948) (66521 33700) (70428 26434) (70860 40717) (79105 40468) (83444 47485) (91691 47236) (96029 54253) (104275 54004) (108614 61021) (116860 60772) (121199 67789) (120767 53506) (95598 39970) (31025 -62099) (36108 -68598) (43859 -65772) (43567 -57527) (22781 -62391) (50066 -52445) (50701 -70382) (50129 -78612) (33838 -76530) (18405 -55396) (10156 -55515) (14097 -42763) (7493 -47707) (48914 -44275) (13977 -34512) (5404 -62260) (-2813 -61516) (20597 -30313) (32924 -25190) (27558 -18923) (19941 -22088) (35637 -55257) (20841 -47514) (28622 -32229) (42241 -39423) (55591 -39429) (62939 -43179) (12901 -17786) (29476 -10897) (22982 -6235) (22350 822) (14761 4055) (-389 -45270) (31509 -44879) (28946 5779) (52794 -32329) (44551 -32668) (41681 -24933) (48152 -19813) (55019 -24384) (47813 -11570) (54444 1088) (62754 -21516) (54783 -7156) (40505 -7742) (28766 13395))
STRUCTURE-BONDS ((1 24 1) (15 1 2) (1 11 1) (2 3 1) (24 2 1) (20 2 2) (3 4 2) (4 12 1) (17 4 1) (5 6 1) (12 5 2) (23 5 1) (6 7 2) (7 13 1) (7 18 1) (8 29 2) (30 8 1) (13 8 1) (9 29 1) (14 9 2) (38 9 1) (10 11 2) (14 10 1) (64 10 1) (25 13 1) (20 15 1) (15 16 1) (17 23 2) (17 28 1) (18 30 2) (18 19 1) (64 38 1) (20 21 1) (21 22 2) (23 26 1) (24 25 1) (26 27 1) (29 33 1) (30 31 1) (33 31 1) (31 32 2) (33 35 1 :DOWN) (35 34 2) (35 36 1) (36 37 1) (40 39 1) (38 39 1 :UP) (40 41 1) (41 43 1) (41 42 2) (44 43 1) (45 44 1) (46 45 2) (47 46 1) (48 46 1) (49 47 1) (50 49 1) (51 50 1) (52 51 1) (51 53 1 :UP) (54 52 1) (55 54 1) (56 55 1) (57 56 1) (56 58 1 :UP) (59 57 1) (60 59 1) (61 60 1) (62 61 1) (63 61 1) (64 65 1 :DOWN) (12 25 :COORDINATION) (14 25 :COORDINATION)) ((65 54 1) (63 61 1) (60 64 2) (60 63 1) (59 62 2) (58 60 1) (58 59 1) (57 58 1) (57 56 2) (56 55 :AROMATIC) (55 59 1) (50 51 2) (50 54 1) (49 50 1) (48 49 1) (45 46 1) (55 45 :AROMATIC) (53 44 1) (44 56 :AROMATIC) (43 53 :COORDINATION) (53 42 1) (41 53 :COORDINATION) (40 47 1 :DOWN) (39 48 1 :UP) (40 39 1) (38 57 1) (38 39 1) (43 38 2) (37 40 1) (37 43 1) (35 36 2) (34 37 2) (45 33 :AROMATIC) (33 44 :AROMATIC) (32 52 1) (31 34 1) (31 32 :AROMATIC) (42 31 :AROMATIC) (30 35 1) (32 30 :AROMATIC) (29 42 :AROMATIC) (30 29 :AROMATIC) (26 27 1) (25 33 2) (24 29 1) (23 25 1) (23 41 2) (22 26 1) (22 23 1) (21 28 1) (21 22 2) (20 24 2) (20 41 1) (20 21 1) (12 19 1 :DOWN) (16 18 1) (16 17 1) (15 16 1) (14 15 1) (13 14 1) (12 13 1) (11 12 1) (10 11 1) (9 10 1) (7 8 1 :DOWN) (7 9 1) (6 7 1) (5 6 1) (4 5 1) (2 3 1) (2 4 1) (1 2 2) (65 1 1))
STRUCTURE-ATOMS (C C C C C C C C C C C N N N C C C C C C C C C N MG C C C C C C O C O C O C C C C C O O C C C C C C C C C C C C C C C C C C C C C C) (C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C N N N N C C C C C C O C MG O C C C C C C C O O O C)
L-ASPARTATE L-aspartate ATOM-CHARGES ((9 -1) (5 1) (3 -1)) ((8 -1) (6 -1) (4 1))
DISPLAY-COORDS-2D ((10451 -11270) (10451 -3020) (17596 1105) (3307 1105) (3307 9355) (-3838 -3020) (-10983 1105) (-10983 9355) (-18128 -3020)) ((1345 976) (1420 940) (1272 938) (1344 1067) (1488 987) (1201 980) (1273 856) (1565 951) (1491 1065))
STRUCTURE-BONDS ((2 1 2) (3 2 1) (4 2 1) (4 5 1 :UP) (6 4 1) (7 6 1) (8 7 2) (9 7 1)) ((1 2 1) (1 3 1) (4 1 1 :DOWN) (2 5 1) (3 6 1) (3 7 2) (5 8 1) (5 9 2))
STRUCTURE-ATOMS (O C O C N C C O O) (C C C N C O O O O)
GLUCONATE D-gluconate DISPLAY-COORDS-2D ((5644 21653) (-29989 16822) (-22929 21088) (-15704 17105) (-8642 21370) (-1418 17387) (12869 17670) (-1255 9139) (-8805 29618) (-15540 8857) (-23092 29336) (-29826 8574) (-37214 20805)) ((5704 15562) (-30019 19687) (-22875 15562) (-15730 19687) (-8585 15562) (-1441 19687) (12849 19687) (-1441 27937) (-8585 7312) (-15730 27937) (-22875 7312) (-30019 27937) (-37164 15562))
STRUCTURE-BONDS ((13 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (6 1 1) (1 7 1) (2 12 2) (3 11 1 :UP) (4 10 1 :UP) (5 9 1 :UP) (6 8 1 :DOWN)) ((13 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (6 1 1) (1 7 1) (2 12 2) (3 11 1 :DOWN) (4 10 1 :DOWN) (5 9 1 :DOWN) (6 8 1 :UP))
CPD-10320 vernolate DISPLAY-COORDS-2D ((427890 -330980) (427890 -248480) (356440 -207230) (356440 -124730) (284990 -83480) (284990 -980) (243740 70470) (172290 111720) (172290 194220) (100850 235470) (29400 194220) (-42050 235470) (-113490 194220) (-184940 235470) (-256390 194220) (-327840 235470) (-399280 194220) (-470730 235470) (-542180 194220) (-470730 317970) (326240 70470)) ((-40661 2243) (-31808 7975) (-24750 4024) (-18254 9461) (-11491 4921) (-4405 10064) (3830 6407) (10018 13479) (14437 9132) (22687 9132) (26812 16277) (35062 16277) (39187 23422) (47437 23422) (51562 30567) (59812 30567) (63937 37711) (72187 37711) (76312 44856) (76312 30567) (-2015 382))
CPD-10514 9,10-epoxystearate DISPLAY-COORDS-2D ((360 -8062) (6186 -7649) (10473 -7649) (3932 -7649) (9759 -8062) (1789 -8062) (1074 -7649) (8330 -8062) (4647 -8062) (-1784 -7649) (6901 -8062) (11188 -8062) (2503 -7649) (-1069 -8887) (-1069 -8062) (7615 -7649) (3218 -8062) (9044 -7649) (-354 -7649) (5059 -8776) (5472 -8062)) ((-18144 -33916) (26227 -20954) (-12324 -15569) (17880 -38772) (-5046 -19806) (-3842 -33916) (-10866 -38022) (7646 -19806) (25419 -35669) (-32588 -25564) (18836 -22059) (-19612 -19806) (3447 -38022) (-39876 -38022) (-32588 -33916) (15043 -16070) (10602 -33916) (1609 -15319) (-25432 -38022) (35493 -33868) (28560 -28159))
STRUCTURE-BONDS ((21 2 1) (20 21 1) (20 9 1) (19 1 1) (19 15 1) (18 5 1) (17 4 1) (16 8 1) (15 10 1) (15 14 2) (13 17 1) (11 16 1) (9 21 1) (8 18 1) (7 6 1) (6 13 1) (5 3 1) (4 9 1) (3 12 1) (2 11 1) (1 7 1)) ((21 2 1) (20 21 1 :DOWN) (20 9 1 :DOWN) (19 1 1) (19 15 1) (18 5 1) (17 4 1) (16 8 1) (15 10 1) (15 14 2) (13 17 1) (11 16 1) (9 21 1) (8 18 1) (7 6 1) (6 13 1) (5 3 1) (4 9 1) (3 12 1) (2 11 1) (1 7 1))
OLEATE-CPD oleate ATOM-CHARGES (20 -1) (10 -1)
DISPLAY-COORDS-2D ((8134 54610) (15278 58735) (22423 54610) (29568 58735) (36713 54610) (43857 58735) (51002 54610) (58147 58735) (65291 54610) (-66518 58735) (-59374 54610) (-52229 58735) (-45084 54610) (-37939 58735) (-30795 54610) (-23650 58735) (-16505 54610) (-9361 58735) (-2216 54610) (-59374 46360)) ((-21442 59895) (-59895 59895) (-8769 59895) (19118 54612) (31582 54612) (43837 54612) (59685 54612) (8134 54612) (-34332 59895) (-53558 44046) (-47221 59895) (-40668 54612) (-27995 54612) (-15105 54612) (14261 59895) (-2216 54612) (26306 59895) (38554 59895) (52713 59895) (-53558 54612))
STRUCTURE-BONDS ((19 1 2) (1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (6 7 1) (7 8 1) (8 9 1) (10 11 2) (11 12 1) (12 13 1) (13 14 1) (14 15 1) (15 16 1) (16 17 1) (17 18 1) (18 19 1) (11 20 1)) ((20 2 2) (20 10 1) (19 7 1) (18 6 1) (17 5 1) (16 8 2) (15 4 1) (14 3 1) (13 1 1) (12 9 1) (11 20 1) (11 12 1) (9 13 1) (8 15 1) (6 19 1) (5 18 1) (4 17 1) (3 16 1) (1 14 1))
STRUCTURE-ATOMS (C C C C C C C C C O C C C C C C C C C O) (C O C C C C C C C O C C C C C C C C C C)
12-OXO-CIS-9-DODECENOATE 12-oxo-cis-9-dodecenoate DISPLAY-COORDS-2D ((4671 -3398) (4671 -923) (385 -923) (5386 -1336) (3957 -1336) (3957 -3811) (2528 -1336) (-1044 -923) (3242 -923) (5386 -2161) (1099 -1336) (4671 -2573) (1814 -923) (-330 -1336) (-330 -2161)) ((-28814 -18554) (-7814 -12131) (20378 -11459) (-12992 -18554) (-3118 -18554) (-28814 -27855) (6570 -18554) (28719 -28814) (1965 -11266) (-19801 -18554) (16156 -18842) (-22870 -13281) (11555 -10883) (24498 -18554) (28238 -11748))
12-OXO-TRANS-10-DODECENOATE traumatin DISPLAY-COORDS-2D ((33508 -21297) (4929 -21297) (12073 -25422) (26363 -25422) (-2216 -25422) (62086 -21297) (76376 -21297) (40652 -25422) (19218 -21297) (47797 -21297) (69231 -25422) (83521 -33672) (83521 -25422) (4929 -13047) (54942 -25422)) ((6521 -18504) (24450 -18504) (20328 -11411) (11506 -10835) (28669 -28764) (-12944 -18504) (-22819 -13232) (1919 -11218) (16108 -18792) (-3069 -18504) (-19752 -18504) (-28764 -27806) (-28764 -18504) (28189 -11698) (-7766 -12081))
L-LACTATE (S)-lactate DISPLAY-COORDS-2D ((1429 0) (714 -2062) (0 -825) (2143 -1238) (714 -1238) (1429 -825)) ((714 0) (1429 -2062) (2143 -825) (0 -1238) (1429 -1238) (714 -825))
STRUCTURE-BONDS ((1 6 2) (2 5 1) (5 3 1 :UP) (4 6 1) (5 6 1)) ((1 6 2) (2 5 1) (5 3 1 :DOWN) (4 6 1) (5 6 1))
D-LACTATE (R)-lactate DISPLAY-COORDS-2D ((-464 2336) (-7609 -1789) (-464 10586) (5369 -3498) (-7609 -10039) (-14754 2336)) ((-8046 2336) (-901 -1789) (-8046 10586) (-13879 -3498) (-901 -10039) (6244 2336))
STRUCTURE-BONDS ((2 6 1 :DOWN) (2 5 1) (1 4 1) (1 3 2) (1 2 1)) ((2 6 1 :UP) (2 5 1) (1 4 1) (1 3 2) (1 2 1))
DIHYDRONEOPTERIN-P3 7,8-dihydroneopterin triphosphate ATOM-CHARGES ((8 -1) (7 -1) (6 -1) (5 -1)) ((8 -1) (7 -1) (5 -1))
D-SERINE D-serine DISPLAY-COORDS-2D ((-1763 -1026) (6487 -1026) (-5888 6119) (-5888 -8170) (10612 -8170) (10612 6119) (-14138 6119)) ((858 1854) (-5907 -2541) (8070 -2163) (1098 10096) (-13084 1477) (-6181 -10817) (15178 2060))
2-ACETO-2-HYDROXY-BUTYRATE 2-aceto-2-hydroxy-butanoate DISPLAY-COORDS-2D ((10977 3280) (25266 -13220) (18121 -845) (13996 -7990) (30496 6299) (22246 6299) (3832 -845) (18121 13444) (25266 -4970) (32411 -845)) ((-71190 59160) (-500 -143890) (-500 18050) (-500 102280) (70190 143390) (70190 59160) (-143890 16540) (142890 16540) (-500 -59660) (82720 -59660))
DELTA3-ISOPENTENYL-PP isopentenyl diphosphate ATOM-CHARGES ((9 -1) (7 -1) (1 -1)) ((9 -1) (7 -1))
CPD-520 quercetin ATOM-CHARGES (1 -1) NIL
HISTIDINAL histidinal ATOM-CHARGES (7 1) (4 1)
DISPLAY-COORDS-2D ((7724 -17150) (21163 -13257) (7724 -8819) (-5899 -16602) (-13745 -19523) (15265 -5716) (-5899 -8513) (-21225 -16237) (15448 -21225) (789 -19888)) ((-6104 -604) (22000 -9994) (-22067 -604) (7713 -7244) (-537 -16500) (-22067 -10665) (-14018 5634) (7713 -16500) (15293 -16500) (-6104 -10665))
STRUCTURE-BONDS ((10 1 1) (9 1 1) (8 5 2) (7 4 1) (6 2 1) (5 4 1) (4 10 1) (3 6 1) (2 9 2) (1 3 2)) ((10 6 1) (9 8 1) (8 4 1) (7 1 1) (6 3 2) (5 8 1) (5 10 1) (3 7 1) (2 9 2) (1 10 2))
STRUCTURE-ATOMS (C C C C C N N O N C) (C O C N C N N C C C)
CPD-3629 2'-hydroxypseudobaptigenin DISPLAY-COORDS-2D ((22427 -44992) (8137 -36742) (43861 -24367) (36716 -20242) (-6330 -44676) (15282 -32617) (-14230 -47052) (-18932 -40273) (15009 -49270) (36716 -36742) (-6148 -36428) (723 -48957) (51006 -20242) (7957 -44989) (1085 -32461) (29572 -24367) (29572 -32617) (22427 -20242) (43861 -32617) (-13937 -33707) (22427 -36742) (15282 -24367)) ((-71920 -104940) (67210 -203980) (-286510 -310090) (-214590 -352540) (207510 -123800) (-1180 -227560) (284150 -86070) (351360 -163890) (22400 -76640) (-214590 -186290) (207510 -203980) (134410 -84890) (-352540 -352540) (67210 -122620) (134410 -251140) (-143850 -310090) (-143850 -228740) (-71920 -352540) (-286510 -228740) (284150 -251140) (-71920 -187470) (-1180 -310090))
D-ERYTHRO-IMIDAZOLE-GLYCEROL-P D-erythro-imidazole-glycerol-phosphate ATOM-CHARGES ((14 -1) (13 -1)) ((11 -1) (4 -1))
DISPLAY-COORDS-2D ((-123970 -2750) (-52520 -44000) (-202430 -28240) (18930 -2750) (-202430 105240) (-250920 38500) (90370 -44000) (161820 -2750) (-52520 -126500) (18930 79750) (-123970 79750) (233270 -44000) (304720 -85250) (192020 -115450) (274520 27450)) ((-26316 7463) (-26316 -1374) (-10113 -18166) (-1866 -18166) (-18068 -9624) (-19737 20718) (-15318 14139) (-19737 7463) (-26316 -18166) (-18068 -1374) (-10113 -26316) (-26316 -9624) (-10113 -10113) (-18461 -18166) (-26316 20718))
STRUCTURE-BONDS ((3 6 2) (4 7 1) (7 8 1) (5 6 1) (2 9 1 :DOWN) (1 2 1) (4 10 1 :UP) (1 11 2) (8 12 1) (1 3 1) (2 4 1) (11 5 1) (12 13 1) (12 14 1) (12 15 2)) ((15 1 2) (14 3 1) (13 3 2) (12 9 1) (11 3 1) (10 2 1) (9 14 1) (8 7 2) (7 6 1) (6 15 1) (5 12 1) (4 3 1) (2 12 1) (1 2 1) (1 8 1))
STRUCTURE-ATOMS (C C N C N C C O O O C P O O O) (C C P O O N C N C O O C O O C)
2-KETOGLUTARATE 2-oxoglutarate DISPLAY-COORDS-2D ((-71950 -73090) (211640 -73790) (141790 -114700) (70540 8040) (141790 -195840) (70540 -73090) (-212340 -73790) (-700 -114700) (-142500 -114700) (-142500 -195840)) ((-71940 -131190) (211600 -130490) (141770 -89580) (70530 -212300) (141770 -8460) (70530 -131190) (-212300 -130490) (-700 -89580) (-142480 -89580) (-142480 -8460))
CPD-8690 etheroleate DISPLAY-COORDS-2D ((-106200 -349150) (-25190 -333560) (-133200 -427100) (1820 -255600) (460890 -240010) (379880 -255600) (325870 -193240) (244860 -208830) (487900 -162050) (433890 -99690) (460890 -21740) (541910 -6140) (82830 -240010) (109840 -162050) (190850 -146460) (595920 -68510) (676930 -52920) (730940 -115280) (811950 -99690) (865960 -162050) (838960 -21740)) ((57690 -20617) (62535 -14542) (51612 -15069) (68978 -19507) (57319 2657) (67673 2355) (71735 -1845) (80540 -1441) (51369 -3087) (46501 3357) (40732 -2973) (36575 3448) (72896 -12726) (80907 -12203) (88603 -7761) (30792 -3212) (25905 3855) (20591 -3492) (14387 5158) (6322 4360) (17729 12542))
KDO 3-deoxy-D-manno-octulosonate ATOM-CHARGES (10 -1) (3 -1)
DISPLAY-COORDS-2D ((-132162 -1296) (-125018 2829) (-117873 -1296) (-110728 2829) (-103584 -1296) (-96439 2829) (-89294 -1296) (-82149 2829) (-75005 -1296) (-67860 2829) (-75005 -9546) (-82149 11079) (-96439 11079) (-117873 -9546) (-110728 11079) (-103584 -9546)) ((23100 -1741) (23100 6509) (30245 -5866) (15956 -5866) (31065 10208) (17267 12342) (17234 20579) (17234 28829) (17234 37079) (17234 45329) (8984 20579) (8984 28829) (25484 37079) (25484 45329) (17234 53579) (25484 20596) (25484 28829) (8984 37079) (8984 45329) (24379 57704))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (6 7 1) (7 8 1) (8 9 1) (9 10 1) (9 11 2) (8 12 2) (6 13 1 :UP) (3 14 1 :UP) (4 15 1 :DOWN) (5 16 1 :DOWN)) ((10 15 1) (10 14 1 :UP) (9 13 1 :UP) (8 12 1 :UP) (7 11 1 :UP) (9 10 1) (8 9 1) (7 8 1) (6 7 1) (2 6 1) (2 5 2) (1 4 2) (1 3 1) (1 2 1) (7 16 1 :UP) (8 17 1 :UP) (9 18 1 :UP) (10 19 1 :UP) (15 20 1))
STRUCTURE-ATOMS (O C C C C C C C C O O O O O O O) (C C O O O C C C C C O O O O C H H H H O)
NICOTINAMIDE_NUCLEOTIDE nicotinamide mononucleotide ATOM-CHARGES ((22 -1) (20 -1) (2 1)) ((22 1) (20 -1) (6 -1))
DISPLAY-COORDS-2D ((1407 1103) (1464 968) (1340 1055) (1381 1181) (1535 926) (1392 926) (1273 1103) (1298 1181) (1429 1248) (1535 843) (1392 843) (1195 1077) (1250 1248) (1464 801) (1607 801) (1179 997) (1678 842) (1606 724) (1096 997) (1014 997) (1096 1079) (1096 910)) ((-4649 -19691) (9754 4103) (-11669 -23612) (23612 12400) (-4649 -11305) (23612 -4103) (23612 4103) (9754 11305) (-24981 -31908) (5651 1640) (5651 6656) (-18689 -11305) (-31908 -19052) (16774 4103) (-8022 6656) (-24981 -23612) (-12033 10211) (-1094 16410) (-8022 1640) (31816 4103) (-18689 -19691) (-12033 -7384))
STRUCTURE-BONDS ((1 2 1 :UP) (1 3 1) (1 4 1) (2 5 2) (2 6 1) (3 7 1) (4 8 1) (4 9 1 :DOWN) (5 10 1) (6 11 2) (7 12 1 :UP) (8 13 1 :DOWN) (10 14 2) (10 15 1) (12 16 1) (15 17 1) (15 18 2) (16 19 1) (19 20 1) (19 21 2) (19 22 1) (7 8 1) (11 14 1)) ((22 17 1) (22 12 1) (21 3 1) (20 7 1) (18 17 1) (17 19 1) (16 21 1) (15 19 1) (14 2 1) (13 16 1) (12 21 2) (11 10 1) (10 19 1) (9 16 2) (8 10 1) (8 18 1) (7 14 1) (6 7 1) (5 22 2) (4 7 2) (3 1 2) (2 8 1) (1 5 1))
STRUCTURE-ATOMS (C N O C C C C C O C C C O C C O N O P O O O) (C C C O C O P C O C O C N O O C C O C O C N)
4-PHOSPHONOOXY-THREONINE 4-phospho-hydroxy-L-threonine ATOM-CHARGES ((13 1) (12 -1) (10 -1) (6 -1)) ((10 -1) (9 -1) (7 1) (4 -1))
DISPLAY-COORDS-2D ((-25710 -1972) (-18566 2153) (-11421 -1972) (-4276 2153) (2868 -1972) (10013 2153) (2868 -10222) (-11421 -10222) (-33960 -1972) (-42210 -1972) (-33960 -10222) (-33960 6278) (-4276 10403)) ((12423 5900) (720 5900) (-13190 -2350) (22975 5900) (-13190 -18562) (-13190 5900) (-23071 -10600) (12423 -4461) (-22975 -23071) (12423 16452) (-3789 -23071) (-13190 -10504) (-2638 -2350))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (5 7 2) (3 8 1 :UP) (1 9 1) (9 10 1) (9 11 2) (9 12 1) (4 13 1 :UP)) ((2 1 1) (3 6 1) (4 1 1) (5 12 1) (6 2 1) (7 12 1) (8 1 2) (9 5 1) (10 1 1) (11 5 2) (12 3 1) (13 3 1))
STRUCTURE-ATOMS (O C C C C O O O P O O O N) (P O C O C C N O O O O C O)
CYCLOEUCALENOL cycloeucalenol STRUCTURE-BONDS ((28 29 1) (30 31 1) (29 30 1) (9 31 1) (9 28 1) (26 27 2) (24 25 1 :DOWN) (29 23 1 :DOWN) (15 6 1) (19 20 1 :UP) (17 18 1 :DOWN) (28 16 1 :UP) (15 14 1) (13 12 1) (11 13 1) (26 13 1) (26 10 1) (21 10 1) (21 17 1) (17 9 1) (7 28 1) (7 8 1) (8 6 1) (6 5 1) (5 29 1) (4 5 1) (3 4 1) (22 3 1) (22 14 1) (6 14 1) (24 22 1) (19 24 1) (2 19 1) (1 14 1) (1 2 1)) ((28 29 1) (30 31 1) (29 30 1) (9 31 1) (9 28 1) (26 27 2) (24 25 1 :DOWN) (29 23 1 :DOWN) (15 6 1 :UP) (19 20 1 :UP) (17 18 1 :DOWN) (28 16 1 :UP) (15 14 1 :UP) (13 12 1) (11 13 1) (26 13 1) (26 10 1) (21 10 1) (21 17 1) (17 9 1) (7 28 1) (7 8 1) (8 6 1) (6 5 1) (5 29 1) (4 5 1) (3 4 1) (22 3 1) (22 14 1 :UP) (6 14 1) (24 22 1) (19 24 1) (2 19 1) (1 14 1) (1 2 1))
DEHYDROQUINATE 3-dehydroquinate ATOM-CHARGES (9 -1) (11 -1)
DISPLAY-COORDS-2D ((1657 1119) (1657 1252) (1542 1053) (1542 1319) (1426 1119) (1426 1252) (1790 1119) (1856 1004) (1856 1235) (1311 1053) (1723 1004) (1542 1452) (1311 1319)) ((9998 -8470) (2853 -4345) (2853 3905) (9998 8030) (17142 3905) (17142 -4345) (9998 16280) (4164 -14304) (15831 -14304) (9998 -20137) (24081 -14304) (24287 8030) (-4292 8030))
STRUCTURE-BONDS ((2 1 1) (3 1 1) (4 2 1) (5 3 1) (6 4 1) (6 5 1) (8 7 2) (9 7 1) (1 7 1 :UP) (10 5 2) (1 11 1 :DOWN) (4 12 1 :UP) (6 13 1 :DOWN)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (4 7 1 :DOWN) (1 8 1 :DOWN) (1 9 1 :UP) (9 10 2) (9 11 1) (5 12 1 :UP) (3 13 2))
STRUCTURE-ATOMS (C C C C C C C O O O O O O) (C C C C C C O O C O O O O)
KDO-8P 3-deoxy-D-manno-octulosonate 8-P ATOM-CHARGES ((20 -1) (19 -1) (16 -1)) ((17 -1) (8 -1) (2 -1))
DISPLAY-COORDS-2D ((28579 -1833) (21434 2292) (14289 -1833) (7145 2292) (0 -1833) (-7145 2292) (-14289 -1833) (-21434 2292) (-28579 -1833) (28579 -10083) (21434 10542) (7145 10542) (0 -10083) (-7145 10542) (-14289 -10083) (35724 2292) (-35724 -5958) (-42868 -10083) (-31599 -13103) (-39849 1187)) ((-17490 -26070) (-8580 -33990) (-19800 21450) (-26895 33825) (-25740 7260) (-25740 -9570) (-25575 15510) (-660 -26070) (-25740 -1320) (-17490 7260) (-25740 -26070) (-8580 -26070) (-25740 -17820) (-17490 -1320) (-33990 -17820) (-19800 29700) (-12705 33825) (-11550 21450) (-8580 -18315) (-33990 -9570))
STRUCTURE-BONDS ((10 1 2) (16 1 1) (2 1 1) (11 2 2) (3 2 1) (4 3 1) (4 12 1 :UP) (5 4 1) (5 13 1 :DOWN) (6 5 1) (6 14 1 :DOWN) (7 6 1) (7 15 1 :UP) (8 7 1) (9 8 1) (9 17 1) (17 18 2) (17 19 1) (17 20 1)) ((16 3 1) (16 17 1) (16 4 2) (13 15 1) (13 11 1) (12 1 1) (12 2 1) (12 8 1) (12 19 2) (11 1 1) (9 6 1) (9 14 1) (7 5 1) (6 13 1) (6 20 1) (5 9 1) (5 10 1) (3 18 2) (3 7 1))
STRUCTURE-ATOMS (C C C C C C C C O O O O O O O O P O O O) (O O C O C C C O C O C P C O O C O O O O)
PREPHENATE prephenate ATOM-CHARGES ((16 -1) (10 -1)) ((16 -1) (9 -1))
DISPLAY-COORDS-2D ((-9547 -14181) (-16692 -10056) (-16692 -1806) (-9547 2319) (-2402 -1806) (-2402 -10056) (-23836 -14181) (4742 2319) (4742 -5931) (4742 -14181) (11887 -1806) (4742 10569) (11887 14694) (-2402 14694) (11887 22944) (19032 10569)) ((-15388 2935) (-15388 -11342) (-19592 -4125) (-3013 -4125) (15071 -15150) (-7138 2935) (3252 1825) (3252 9837) (11263 1825) (3252 -9677) (11581 -9677) (17292 -4046) (15071 -23161) (-7138 -11342) (-22527 -7933) (23082 -15150))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 2) (4 5 1) (5 6 1) (1 6 2) (2 7 1 :DOWN) (5 8 1 :UP) (5 9 1 :DOWN) (9 10 1) (9 11 2) (8 12 1) (12 13 1) (12 14 2) (13 15 2) (13 16 1)) ((16 5 1) (15 3 1) (14 4 1) (13 5 2) (12 11 2) (11 10 1) (10 4 1) (9 7 1) (8 7 2) (7 4 1) (6 4 1) (5 11 1) (3 2 1) (2 14 2) (1 3 1) (1 6 2))
STRUCTURE-ATOMS (C C C C C C O C C O O C C O O O) (C C C C C C C O O C C O O C O O)
CPD-12199 3-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA SUPERATOMS COA-GROUP NIL
3-UREIDO-ISOBUTYRATE 3-ureido-isobutyrate ATOM-CHARGES (4 -1) (2 -1)
DISPLAY-COORDS-2D ((4711 5983) (5422 6384) (6144 5983) (6855 6384) (6134 5151) (3988 6384) (5422 7216) (3274 5971) (3274 5146) (2560 6384)) ((-211240 -130600) (210520 -130600) (-144160 -92060) (-144160 -14270) (-72790 -133450) (143440 -92060) (71360 -211240) (143440 -14270) (71360 -133450) (-710 -92060))
STRUCTURE-BONDS ((2 7 1) (1 6 1) (2 3 1) (3 5 2) (3 4 1) (1 2 1) (6 8 1) (8 9 2) (8 10 1)) ((10 5 1) (9 10 1) (8 6 2) (7 9 1) (6 9 1) (5 3 1) (4 3 2) (2 6 1) (1 3 1))
STRUCTURE-ATOMS (C C C O O N C C O N) (N O C O N C C O C C)
S-ADENOSYLMETHIONINAMINE S-adenosyl-L-methioninamine ATOM-CHARGES ((12 1) (9 1)) ((5 1) (1 1))
DISPLAY-COORDS-2D ((-1604 13558) (-741 5353) (5933 16914) (7328 3638) (11453 10783) (19658 11645) (7648 24984) (-8748 17683) (-15893 13558) (-23038 17683) (-30182 13558) (-44472 13558) (-15893 5308) (-37327 17683) (18531 -14698) (18531 -6448) (25676 -18822) (25675 -2323) (32820 -14697) (32820 -6447) (10684 -3899) (5835 -10573) (10684 -17247) (25676 -27072)) ((2262 68758) (8272 74196) (16222 71989) (19142 64229) (27414 64461) (63016 81451) (45093 81542) (53847 62205) (60651 67125) (58151 74848) (49799 74848) (47202 67009) (50860 54908) (43862 50427) (43722 42478) (50933 38357) (58072 50781) (58084 42575) (65911 40094) (70666 46672) (65893 53347) (50988 30127) (39369 64595) (27372 54774))
STRUCTURE-BONDS ((1 2 1) (1 3 1) (2 4 1) (3 5 1) (4 5 1) (5 6 1 :DOWN) (3 7 1 :DOWN) (1 8 1 :UP) (9 8 1) (4 21 1 :UP) (10 9 1) (11 10 1) (14 11 1) (12 14 1) (9 13 1) (15 17 1) (15 16 2) (15 23 1) (16 18 1) (16 21 1) (17 19 2) (24 17 1) (18 20 2) (19 20 1) (22 21 1) (23 22 2)) ((5 24 1) (5 23 1) (9 21 1 :UP) (16 22 1) (17 21 1) (21 20 1) (20 19 2) (19 18 1) (18 17 2) (18 16 1) (16 15 2) (15 14 1) (14 13 2) (13 17 1) (11 7 1 :DOWN) (10 6 1 :DOWN) (12 23 1 :UP) (9 10 1) (11 10 1) (8 9 1) (12 11 1) (12 8 1) (4 5 1) (4 3 1) (2 3 1) (2 1 1 :UP))
STRUCTURE-ATOMS (C O C C C O O C S C C N C C C C C N N C N C N N) (N C C C S O O O C C C C N C N C C C N C N N C C)
P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE 5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole ATOM-CHARGES ((30 -1) (26 -1) (9 -1) (7 -1)) ((28 -1) (27 -1) (22 -1) (10 -1))
DISPLAY-COORDS-2D ((-121880 -113930) (-55130 -65430) (-188620 -65430) (-260060 -106680) (-331510 -65430) (-414010 -147930) (-414010 17070) (-414010 -65430) (-496510 -65430) (-80620 13020) (-39370 84470) (-163130 13020) (-204380 84470) (16310 -189180) (16310 -106680) (94780 -214680) (94780 -81190) (116130 -1500) (143270 -147930) (225770 -147930) (267020 -219380) (284100 -89590) (407850 -18150) (284100 53300) (366600 53300) (407850 124750) (366600 -89590) (366600 -232490) (407850 -161040) (490350 -161040)) ((178740 -174160) (-189060 128330) (-38960 -135200) (28650 20620) (28650 250930) (103120 50410) (-38960 -186770) (-122600 -135200) (-248640 249780) (-280720 -135200) (-114580 169580) (-200520 -51560) (135200 -269260) (1150 -318530) (-200520 -135200) (177600 162700) (135200 -318530) (-114580 237180) (71040 -126040) (28650 169580) (-44690 128330) (-318530 128330) (-248640 168430) (103120 132910) (178740 11460) (-114580 317390) (-200520 -213120) (-34370 237180) (233740 89370) (1150 -269260))
STRUCTURE-BONDS ((1 3 1) (1 2 1) (3 12 1) (12 10 1) (10 2 1) (2 15 1 :UP) (3 4 1 :UP) (4 5 1) (5 8 1) (8 6 2) (8 7 1) (8 9 1) (10 11 1 :DOWN) (12 13 1 :DOWN) (16 14 2) (16 19 1) (14 15 1) (15 17 1) (17 19 2) (17 18 1) (19 20 1) (20 22 1) (20 21 2) (22 27 1) (27 23 1) (23 25 1) (25 24 2) (25 26 1) (27 29 1) (29 28 2) (29 30 1)) ((30 13 1) (29 25 1) (28 18 1) (27 15 1) (26 18 2) (25 6 1) (24 16 1) (23 2 1) (22 23 1) (21 20 1) (20 24 1) (19 1 1) (18 11 1) (17 13 1) (16 29 2) (15 8 1) (14 30 1) (12 15 2) (11 21 1) (10 15 1) (9 23 2) (8 3 1) (7 30 1) (7 19 1) (6 24 2) (5 20 2) (4 6 1) (3 7 1) (2 11 1) (1 13 1) (1 25 1))
STRUCTURE-ATOMS (O C C C O O O P O C O C O C N N C N C C O N C O C O C O C O) (C C C N O C C O O O C O C O P N O C O C N O C C N O O O C C)
ISOCHORISMATE isochorismate DISPLAY-COORDS-2D ((2079 3288) (2079 4121) (2793 4542) (3516 4121) (3516 3288) (2793 2876) (2790 2052) (3504 1639) (2073 1644) (4228 2874) (4230 4532) (4945 4120) (5659 4532) (6374 4120) (5659 5357) (4945 3295)) ((2080 3289) (2080 4123) (2794 4544) (3517 4123) (3517 3289) (2794 2877) (2791 2053) (3506 1640) (2074 1645) (4230 2875) (4232 4534) (4234 5358) (3520 5772) (2807 5358) (3525 6596) (4948 5768))
GLYCOLALDEHYDE glycolaldehyde DISPLAY-COORDS-2D ((-1209 -3244) (-1209 -2418) (-494 -2006) (-1924 -2006) (-2638 -2418)) ((1086 -574) (-338 -686) (392 -1071) (-1089 -1089))
STRUCTURE-BONDS ((1 2 2) (2 3 1) (2 4 1) (4 5 1)) ((4 2 1) (3 1 2) (2 3 1))
STRUCTURE-ATOMS (O C H C O) (O C C O)
D-6-P-GLUCONO-DELTA-LACTONE 6-phospho-D-glucono-1,5-lactone ATOM-CHARGES ((16 -1) (14 -1)) ((10 -1) (9 -1))
DISPLAY-COORDS-2D ((-714 -412) (0 -825) (714 -412) (714 412) (0 825) (-714 412) (1429 -825) (1429 825) (0 1650) (-1429 825) (-1429 -825) (-2143 -412) (-2858 -1650) (-3573 -412) (-2858 -825) (-2858 0)) ((-1431900 -36000) (-1431900 1614000) (-717500 1201500) (-2146300 1201500) (-2146300 376500) (-717500 376500) (-3000 -36000) (711500 -1273500) (299000 -1987900) (1426000 -1685900) (1124000 -559000) (-3000 -861000) (-2860800 -36000) (-3000 1614000) (-1431900 2438900) (-2860800 1614000))
STRUCTURE-BONDS ((1 11 1 :UP) (2 1 1) (3 2 1) (3 7 2) (3 4 1) (4 8 1 :DOWN) (4 5 1) (5 9 1 :UP) (5 6 1) (1 6 1) (6 10 1 :DOWN) (11 12 1) (12 15 1) (15 13 2) (15 14 1) (15 16 1)) ((8 11 2) (8 9 1) (8 10 1) (12 8 1) (7 12 1) (7 6 1 :DOWN) (5 13 2) (4 16 1 :UP) (3 14 1 :UP) (15 2 1 :DOWN) (3 6 1) (2 3 1) (4 2 1) (5 4 1) (1 6 1) (1 5 1))
STRUCTURE-ATOMS (C O C C C C O O O O C O O O P O) (O C C C C C C P O O O O O O O O)
CPD-2961 6-phospho-D-gluconate DISPLAY-COORDS-2D ((26400 -22252) (40691 -22252) (36566 -15108) (47837 -18127) (44816 -29398) (33545 -26377) (19255 -26377) (12112 -22252) (4966 -26377) (-2178 -22252) (-9324 -26377) (12112 -14001) (-2178 -14001) (-16468 -22252) (-9324 -34627) (4966 -34627) (19255 -34627)) ((26399 -26133) (40689 -26133) (36564 -33277) (47834 -30258) (44814 -18988) (33544 -22008) (19255 -22008) (12111 -26133) (4966 -22008) (-2178 -26133) (-9323 -22008) (12111 -34383) (-2178 -34383) (-16468 -26133) (-9323 -13759) (4966 -13759) (19255 -13759))
STRUCTURE-BONDS ((11 15 2) (10 13 1 :UP) (9 16 1 :UP) (8 12 1 :UP) (7 17 1 :DOWN) (2 5 2) (2 3 1) (2 4 1) (6 2 1) (1 6 1) (7 1 1) (8 7 1) (9 8 1) (10 9 1) (11 10 1) (14 11 1)) ((11 15 2) (13 10 1 :DOWN) (16 9 1 :DOWN) (12 8 1 :DOWN) (7 17 1 :UP) (2 5 2) (2 3 1) (2 4 1) (6 2 1) (1 6 1) (7 1 1) (8 7 1) (9 8 1) (10 9 1) (11 10 1) (14 11 1))
2-DEHYDROPANTOATE 2-dehydropantoate DISPLAY-COORDS-2D ((-9872 36626) (-9872 44876) (-2728 32501) (4417 36626) (-2728 24251) (-17017 32501) (-24162 28376) (-21142 39646) (-12892 25356) (-31306 32501)) ((-1443 2818) (-618 2818) (-1443 1993) (-728 1584) (-2159 1584) (-1443 3643) (-1443 4464) (-618 3643) (-2268 3649) (-729 4876))
GLYCEROL-3P sn-glycerol-3-phosphate ATOM-CHARGES ((9 -1) (7 -1)) ((10 -1) (9 -1))
DISPLAY-COORDS-2D ((630 -3247) (1344 -3659) (2058 -3247) (2773 -3659) (3487 -3247) (4312 -3247) (5137 -3247) (4312 -4072) (4312 -2422) (2058 -2422)) ((630 -2337) (1344 -1925) (2058 -2337) (2773 -1925) (3487 -2337) (2030 -3587) (3487 -3162) (4312 -3162) (3487 -3987) (2662 -3162))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (6 7 1) (6 8 2) (6 9 1) (3 10 1 :DOWN)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (3 6 1 :UP) (5 7 1) (7 8 2) (7 9 1) (7 10 1))
STRUCTURE-ATOMS (O C C C O P O O O O) (O C C C O O P O O O)
SACCHAROPINE L-saccharopine ATOM-CHARGES ((19 -1) (14 -1) (10 -1) (5 1) (4 1)) ((13 3))
DISPLAY-COORDS-2D ((1133 1136) (1133 1053) (1062 1177) (1062 1260) (705 1136) (776 1177) (990 1136) (847 1136) (919 1177) (1205 1177) (705 1051) (776 1010) (777 928) (848 1052) (633 1010) (562 1051) (490 1010) (419 1051) (490 928)) ((-32463 -6733) (-25319 -10858) (-18174 -6733) (-11030 -10858) (-3885 -6733) (3259 -10858) (10404 -6733) (17548 -10858) (24692 -6733) (31837 -19107) (17548 5642) (10404 -14983) (-32463 1517) (-39608 -2608) (-44838 -13878) (31837 -10858) (38982 -6733) (10404 1517) (3259 5642) (-36588 -13878) (-32463 -21022))
STRUCTURE-BONDS ((1 2 2) (1 3 1) (3 4 1 :UP) (3 7 1) (5 6 1) (6 8 1) (7 9 1) (8 9 1) (10 1 1) (11 5 1 :UP) (13 12 2) (14 12 1) (11 12 1) (15 11 1) (16 15 1) (18 17 2) (19 17 1) (16 17 1)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (6 7 1) (7 8 1) (8 9 1) (9 16 1) (7 18 1) (7 12 1 :DOWN) (1 13 1) (1 14 1 :UP) (1 20 1 :DOWN) (10 16 1) (16 17 2) (11 18 1) (18 19 2) (15 20 1) (20 21 2))
STRUCTURE-ATOMS (C O C N N C C C C O C C O O C C C O O) (C C C C C N C C C O O H N H O C O C O C O)
ALLYSINE 2-aminoadipate-6-semialdehyde ATOM-CHARGES ((8 1) (3 -1)) ((9 -1))
DISPLAY-COORDS-2D ((3572 -2062) (-3572 2063) (25005 2062) (-10717 -2062) (17861 -2063) (17861 -10313) (10717 2062) (10717 10313) (-17861 2063) (-17861 10313)) ((-16052 5508) (-8908 1383) (-1763 5508) (5382 1383) (12526 5508) (19671 1383) (-16052 13758) (-23197 9633) (-29855 1810) (-21886 -325) (-19751 -8294))
STRUCTURE-BONDS ((7 1 1) (7 5 1) (1 2 1) (5 3 1) (2 4 1) (4 9 1) (5 6 2) (7 8 1 :UP) (9 10 2)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 2) (1 7 1) (1 8 1 :UP) (1 10 1 :DOWN) (9 10 1) (10 11 2))
STRUCTURE-ATOMS (C C O C C O C N C O) (C C C C C O N H O C O)
CPD-12200 3-(4-hydroxyphenyl)-3-oxo-propionyl-CoA SUPERATOMS COA-GROUP NIL
L-DEHYDRO-ASCORBATE L-dehydro-ascorbate ATOM-CHARGES NIL (2 -1)
DISPLAY-COORDS-2D ((0 0) (-8974 19370) (8974 19370) (6674 4849) (14521 2300) (4125 12695) (-4125 12695) (-28109 724) (-20964 4849) (-13819 724) (-13819 -7526) (-6674 4849) (-13819 8974)) ((730 -10296) (-12596 -10296) (8091 -14039) (-10946 -2491) (5235 3093) (-15896 4109) (-5680 -14737) (-793 -2491) (-20565 -12431) (-22700 -20400) (-30669 -22535) (-26399 -6598))
STRUCTURE-BONDS ((1 4 1) (12 1 1) (7 2 2) (6 3 2) (4 5 2) (4 6 1) (6 7 1) (12 7 1) (8 9 1) (9 10 1) (10 12 1) (10 11 1 :DOWN) (12 13 1 :DOWN)) ((8 1 1) (8 4 1) (6 4 2) (5 8 2) (4 2 1) (3 1 2) (2 7 1 :UP) (1 7 1) (2 9 1) (9 10 1) (10 11 1) (9 12 1 :UP))
STRUCTURE-ATOMS (O O O C O C C O C C O C H) (C C O C O O O C C C O O)
PAPS phosphoadenosine-5'-phosphosulfate ATOM-CHARGES ((30 -1) (26 -1) (25 -1) (24 -1)) ((30 -1) (20 -1) (5 -1) (2 -1))
DISPLAY-COORDS-2D ((23198 -2906) (23198 5356) (30276 9534) (30276 -6992) (37443 -2906) (37443 5356) (51746 -2906) (44594 -7063) (30253 -15163) (51728 5356) (41581 14667) (16103 22312) (48339 19553) (45864 27230) (37524 27230) (34929 19433) (27277 17028) (3065 22460) (3123 14199) (-5153 22320) (50675 33836) (33335 33087) (24641 33031) (16653 33232) (24578 41249) (2996 31415) (-13403 22320) (-13403 14070) (-21653 22320) (-13403 30570) (24641 24781)) ((-33052 -1514) (-24802 7153) (21669 -24071) (27412 -16761) (4856 33052) (-24802 -9346) (23340 23757) (9346 7780) (-1305 17805) (22191 -9346) (12375 15821) (14986 -20833) (22191 7467) (16134 2663) (1723 25428) (12375 22922) (-24802 -1514) (-888 -1514) (6213 -1514) (-7884 7153) (14986 -13106) (-7884 -1514) (-15925 -1514) (20938 15821) (-7884 -9346) (8302 -8720) (1305 -20625) (7884 -24697) (1305 -12584) (-6109 28248) (7884 -32947))
STRUCTURE-BONDS ((18 26 1) (22 23 1) (23 25 1) (23 24 1) (15 22 1 :DOWN) (14 21 1 :DOWN) (18 20 1) (18 19 2) (12 18 1) (13 10 1 :UP) (17 12 1) (16 17 1 :UP) (13 14 1) (15 14 1) (11 13 1) (16 15 1) (16 11 1) (4 9 1) (6 10 1) (8 5 1) (7 8 2) (10 7 1) (5 6 1) (4 5 2) (6 3 2) (3 2 1) (2 1 2) (1 4 1) (20 27 1) (27 28 2) (27 29 2) (27 30 1) (23 31 2)) ((31 28 1) (30 15 1) (26 29 2) (28 12 1) (27 28 2) (29 27 1) (21 26 1) (25 22 2) (24 7 1) (24 13 1) (23 22 1) (22 18 1) (10 21 1) (20 22 1) (18 19 1) (17 23 1) (15 16 1) (14 13 1) (13 10 1) (12 3 1) (12 21 2) (11 8 1) (11 16 1) (11 24 1) (9 15 2) (8 19 1) (8 14 1) (6 17 2) (5 15 1) (4 10 1) (3 4 2) (2 17 1) (1 17 2))
STRUCTURE-ATOMS (N C N C C C C N N N O O C C C C C P O O O O P O O O S O O O O) (O O N C O O O C O N C C C O P O S O C O C P O C O N N C C O N)
CPD-763 arsenite ATOM-CHARGES (2 -1) NIL
DISPLAY-COORDS-2D ((0 -1372) (1235 -1372) (654 0) (654 -870)) ((0 -1371) (1234 -1371) (654 0) (654 -869))
DIACYLGLYCEROL-PYROPHOSPHATE a 1,2-diacyl-sn-glycerol 3-diphosphate ATOM-CHARGES ((20 -1) (18 -1) (13 -1)) NIL
DISPLAY-COORDS-2D ((3483 -5161) (4198 -4748) (4912 -5161) (5627 -4748) (4912 -5986) (6341 -5161) (6341 -5986) (2769 -4748) (2054 -5161) (2769 -3924) (4198 -6398) (4198 -7224) (3369 -7219) (5019 -7219) (4183 -8071) (7056 -4748) (4183 -8896) (4183 -9721) (5008 -8896) (3358 -8896)) ((18800 -67339) (27050 -67339) (35300 -67339) (43550 -67339) (35300 -75589) (18800 -50885) (10550 -50885) (2300 -50885) (2300 -59135) (-5950 -50885) (18800 -42635) (27050 -42635) (35300 -42635) (43550 -42635) (35300 -50885) (35300 -34385) (51800 -42635) (51800 -50885) (51800 -34385) (60050 -42635))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1 :UP) (3 5 1) (4 6 1) (6 16 1) (6 7 2) (1 8 1) (8 9 1) (8 10 2) (5 11 1) (11 12 1) (12 13 1) (12 14 2) (12 15 1) (15 17 1) (17 18 1) (17 19 2) (17 20 1)) ((1 2 1) (2 3 1) (3 4 1) (3 5 2) (1 6 1) (6 7 1) (7 8 1) (8 9 2) (8 10 1) (6 11 1) (11 12 1) (12 13 1) (13 14 1) (13 15 2) (13 16 1) (14 17 1) (17 18 2) (17 19 1) (17 20 1))
STRUCTURE-ATOMS (O C C O C C O C R1 O O P O O O R2 P O O O) (C O C R1 O C O C O R2 C O P O O O P O O O)
Acids an acid ATOM-CHARGES (2 -1) NIL
DISPLAY-COORDS-2D ((714 -1238) (1429 0) (0 0) (714 -412)) ((1212 -2100) (2425 0) (0 0) (1212 -700))
HEPARIN-GLUCOSAMINE [heparan sulfate]-α-D-glucosamine DISPLAY-COORDS-2D ((-25929 -10607) (-33073 -6482) (-33073 1768) (-25929 5893) (-18784 1768) (-18784 -6482) (-11639 -10607) (-12950 7602) (-25929 14143) (-40218 5893) (-38907 -12316) (-46052 -8191) (-11639 -18857) (-40218 14143)) ((-25929 -10607) (-33073 -6482) (-33073 1768) (-25929 5893) (-18784 1768) (-18784 -6482) (-11639 -10607) (-12950 7602) (-25929 14143) (-40218 5893) (-38907 -12316) (-46052 -8191) (-4494 -14732) (2650 -27108) (-4494 -22982) (2650 -10607) (9795 -14732) (9795 -22982) (-10328 -28816) (-10328 -37066) (-18297 -26681) (16940 -27107) (16940 -10607) (2650 -2357) (25190 -10607) (33440 -10607) (25190 -18857) (25190 -2357) (24084 -31232) (31229 -43608) (24084 -39483) (31229 -27107) (38374 -31232) (38374 -39483) (31229 -18857) (44207 -25399) (45518 -43608) (52663 -47733) (16940 -43608) (8690 -43608) (440 -43608) (52457 -25399) (60707 -25399) (52457 -33649) (52457 -17149) (8690 -51858) (8690 -35358))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (6 7 1 :DOWN) (5 8 1 :DOWN) (4 9 1 :UP) (3 10 1 :DOWN) (2 11 1 :UP) (11 12 1) (7 13 1) (10 14 1)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (6 7 1 :DOWN) (5 8 1 :DOWN) (4 9 1 :UP) (3 10 1 :DOWN) (2 11 1 :UP) (11 12 1) (7 13 1) (15 13 1) (13 16 1) (14 15 1) (16 17 1) (17 18 1) (14 18 1) (15 19 1 :DOWN) (19 20 2) (19 21 1) (18 22 1 :UP) (17 23 1 :DOWN) (16 24 1 :UP) (23 25 1) (25 26 2) (25 27 2) (25 28 1) (22 29 1 :DOWN) (31 29 1) (29 32 1) (30 31 1) (32 33 1) (33 34 1) (30 34 1) (32 35 1 :UP) (33 36 1 :DOWN) (34 37 1 :DOWN) (37 38 1) (31 39 1 :UP) (39 40 1) (40 41 2) (36 42 1) (42 43 2) (42 44 2) (42 45 1) (40 46 2) (40 47 1))
STRUCTURE-ATOMS (O C C C C C O N O O C O R1 R2) (O C C C C C O N O O C O C O C C C C C O O O O O S O O O C O C C C C O N O R O S O S O O O O O)
CPD-5161 a (mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol STRUCTURE-BONDS ((134 136 1) (135 133 1) (132 139 1 :UP) (132 133 1) (131 138 1 :UP) (131 132 1) (130 137 1 :DOWN) (130 131 1) (129 134 1 :UP) (129 130 1) (135 129 1) (133 128 1 :DOWN) (123 125 1) (124 122 1) (121 127 1 :UP) (121 122 1) (120 128 1 :UP) (120 121 1) (119 126 1 :DOWN) (119 120 1) (118 123 1 :UP) (118 119 1) (124 118 1) (122 117 1 :UP) (110 111 1) (110 115 2) (116 110 1) (109 113 1) (112 108 1) (107 116 1 :DOWN) (107 108 1) (106 114 1 :UP) (106 107 1) (105 117 1 :DOWN) (105 106 1) (104 109 1 :UP) (104 105 1) (112 104 1) (108 103 1 :UP) (100 102 1) (100 101 2) (99 100 1) (96 98 1) (96 97 2) (96 99 1) (95 96 1) (94 103 1 :DOWN) (92 93 1) (92 95 1 :UP) (91 94 1) (90 93 1) (90 94 1) (88 91 1) (88 92 1) (87 89 1) (93 87 1 :DOWN) (91 86 1 :UP) (90 85 1 :UP) (84 86 1) (83 89 2) (82 89 1) (100 81 1) (80 81 1) (77 79 1 :DOWN) (78 80 1) (77 78 1) (76 77 1) (75 76 1) (74 75 1) (72 74 2) (72 73 1) (70 71 1) (70 72 1) (69 71 1) (67 69 2) (67 68 1) (65 66 1) (65 67 1) (64 66 1) (62 64 2) (62 63 1) (60 61 1) (60 62 1) (59 61 1) (57 59 2) (57 58 1) (55 56 1) (55 57 1) (54 56 1) (52 54 2) (52 53 1) (50 51 1) (50 52 1) (49 51 1) (47 49 2) (47 48 1) (46 47 1) (46 45 1) (44 45 1) (42 44 2) (42 43 1) (41 42 1) (41 40 1) (39 40 1) (37 39 2) (37 38 1) (35 36 1) (35 37 1) (34 36 1) (32 34 2) (32 33 1) (31 32 1) (31 30 1) (29 30 1) (27 29 2) (27 28 1) (25 26 1) (25 27 1) (18 24 1) (23 24 1) (21 23 2) (21 22 1) (19 21 1) (19 20 1) (17 26 1) (15 17 2) (15 16 1) (18 15 1) (14 20 1) (11 12 1) (11 14 2) (11 13 1) (10 12 1) (9 10 1) (7 9 2) (7 8 1) (7 6 1) (5 6 1) (3 5 1) (2 4 1) (2 3 2) (2 1 1)) ((134 136 1) (135 133 1) (132 139 1 :UP) (132 133 1) (131 138 1 :UP) (131 132 1) (130 137 1 :DOWN) (130 131 1) (129 134 1 :UP) (129 130 1) (135 129 1) (133 128 1 :DOWN) (123 125 1) (124 122 1) (121 127 1 :UP) (121 122 1) (120 128 1 :UP) (120 121 1) (119 126 1 :DOWN) (119 120 1) (118 123 1 :UP) (118 119 1) (124 118 1) (122 117 1 :UP) (110 111 1) (110 115 2) (116 110 1) (109 113 1) (112 108 1) (107 116 1 :DOWN) (107 108 1) (106 114 1 :UP) (106 107 1) (105 117 1 :DOWN) (105 106 1) (104 109 1 :UP) (104 105 1) (112 104 1) (108 103 1 :UP) (100 102 1) (100 101 2) (99 100 1) (96 98 1) (96 97 2) (96 99 1) (95 96 1) (94 103 1 :DOWN) (92 93 1) (92 95 1) (91 94 1) (90 93 1) (90 94 1) (88 91 1) (88 92 1) (87 89 1) (93 87 1 :DOWN) (91 86 1 :UP) (90 85 1 :UP) (84 86 1) (83 89 2) (82 89 1) (100 81 1) (80 81 1) (77 79 1 :DOWN) (78 80 1) (77 78 1) (76 77 1) (75 76 1) (74 75 1) (72 74 2) (72 73 1) (70 71 1) (70 72 1) (69 71 1) (67 69 2) (67 68 1) (65 66 1) (65 67 1) (64 66 1) (62 64 2) (62 63 1) (60 61 1) (60 62 1) (59 61 1) (57 59 2) (57 58 1) (55 56 1) (55 57 1) (54 56 1) (52 54 2) (52 53 1) (50 51 1) (50 52 1) (49 51 1) (47 49 2) (47 48 1) (46 47 1) (46 45 1) (44 45 1) (42 44 2) (42 43 1) (41 42 1) (41 40 1) (39 40 1) (37 39 2) (37 38 1) (35 36 1) (35 37 1) (34 36 1) (32 34 2) (32 33 1) (31 32 1) (31 30 1) (29 30 1) (27 29 2) (27 28 1) (25 26 1) (25 27 1) (18 24 1) (23 24 1) (21 23 2) (21 22 1) (19 21 1) (19 20 1) (17 26 1) (15 17 2) (15 16 1) (18 15 1) (14 20 1) (11 12 1) (11 14 2) (11 13 1) (10 12 1) (9 10 1) (7 9 2) (7 8 1) (7 6 1) (5 6 1) (3 5 1) (2 4 1) (2 3 2) (2 1 1))
MANDELONITRILE mandelonitrile DISPLAY-COORDS-2D ((-4624 -25115) (-11768 -12740) (2521 -20990) (9666 -41615) (-11768 -20990) (-4624 -8615) (-4624 -33365) (2521 -37490) (2521 -12740) (-11768 -37490)) ((1900 -97020) (-125820 -164410) (-37770 -22010) (165500 -18210) (-42120 -164410) (-166040 -92120) (83430 -97020) (83430 -18210) (-122560 -22010) (126360 -166040))
CDPDIACYLGLYCEROL a CDP-diacylglycerol AROMATIC-RINGS NIL (9 10 22 17 12 16)
ATOM-CHARGES ((8 -1) (7 -1)) NIL
STRUCTURE-BONDS ((36 34 1) (33 35 1) (32 34 1) (31 32 1) (30 35 1) (29 35 2) (28 34 2) (31 27 1) (27 33 1 :UP) (26 27 1) (25 26 1) (1 16 1) (2 17 2) (3 23 2) (4 24 2) (18 5 1 :DOWN) (19 6 1 :DOWN) (7 23 1) (8 24 1) (10 9 2) (9 16 1) (22 10 1) (11 13 1) (20 11 1 :UP) (16 12 2) (12 17 1) (25 23 1) (13 24 1) (14 20 1) (14 21 1) (15 23 1) (15 24 1) (17 22 1) (18 19 1) (18 20 1) (19 21 1) (21 22 1 :UP)) ((36 34 1) (33 35 1) (32 34 1) (31 32 1) (30 35 1) (29 35 2) (28 34 2) (31 27 1) (33 27 1) (26 27 1) (25 26 1) (1 16 1) (2 17 2) (3 23 2) (4 24 2) (18 5 1 :DOWN) (19 6 1 :DOWN) (7 23 1) (8 24 1) (10 9 :AROMATIC) (9 16 :AROMATIC) (22 10 :AROMATIC) (11 13 1) (20 11 1 :UP) (16 12 :AROMATIC) (12 17 :AROMATIC) (25 23 1) (13 24 1) (14 20 1) (14 21 1) (15 23 1) (15 24 1) (17 22 :AROMATIC) (18 19 1) (18 20 1) (19 21 1) (21 22 1 :UP))
STRUCTURE-ATOMS (N O O O O O O O C C C N O O O C C C C C C N P P O C C O O R2 C O O C C R1) (N O O O O O O O C C C N O O O C C C C C C N P P O C C O O R1 C O O C C R2)
Acyl-Phosphates an acyl phosphate ATOM-CHARGES ((4 -1) (3 -1)) NIL
DISPLAY-COORDS-2D ((2364 -2071) (817 -1650) (0 -819) (816 0) (3079 -833) (1650 -833) (2364 -1246) (825 -825)) ((4012 -3514) (1386 -2800) (0 -1390) (1385 0) (5225 -1414) (2800 -1414) (4012 -2114) (1400 -1400))
ACETYL-GLUCOSAMINYL-ETCETERA-MANNOSYL-R N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,6-(N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,3)-β-D-mannosyl-[glycoprotein] DISPLAY-COORDS-2D ((3325 -2736) (10935 -3888) (4803 -3034) (10167 -5014) (0 -5202) (10314 0) (3231 -8780) (4516 -1600) (734 -3931) (11032 -1404) (2852 -8345) (6639 -392) (2164 -3107) (10918 -3055) (2424 -6750) (8092 -1224) (5479 -4851) (8240 -4133) (732 -5581) (9595 -506) (4056 -8781) (5234 -1208) (5887 -6435) (3593 -3934) (9465 -3789) (8648 -5717) (5185 -6011) (7259 -6076) (2162 -5582) (8812 -1682) (4815 -7391) (5936 -2450) (3591 -5584) (8076 -2874) (6639 -3692) (3997 -3215) (10167 -4181) (1448 -4344) (10232 -1780) (3435 -7762) (6639 -1224) (2163 -3932) (10232 -2596) (3221 -6964) (7373 -1633) (6263 -5063) (7652 -4704) (1447 -5169) (9595 -1323) (4232 -7974) (5936 -1633) (6475 -5864) (7848 -5504) (2876 -5171) (8812 -2516) (4602 -6594) (6639 -2874) (2878 -4345) (9498 -2973) (6851 -4492) (3805 -6381) (7373 -2466) (8648 -6542)) ((3324 -2736) (10933 -3887) (4802 -3033) (10165 -5013) (0 -5201) (10312 0) (3230 -8778) (4515 -1600) (734 -3930) (11030 -1404) (2851 -8343) (6638 -392) (2164 -3106) (10916 -3054) (2424 -6749) (8091 -1224) (5478 -4850) (8238 -4132) (732 -5580) (9593 -506) (4055 -8779) (5233 -1208) (5886 -6434) (3592 -3933) (9463 -3788) (8646 -5716) (5184 -6010) (7258 -6075) (2162 -5581) (8810 -1682) (4814 -7390) (5935 -2449) (3590 -5583) (8075 -2874) (6638 -3691) (3996 -3214) (10165 -4180) (1448 -4343) (10230 -1780) (3434 -7760) (6638 -1224) (2163 -3931) (10230 -2596) (3220 -6963) (7372 -1633) (6262 -5062) (7650 -4703) (1447 -5168) (9593 -1323) (4231 -7973) (5935 -1633) (6474 -5863) (7846 -5503) (2876 -5170) (8810 -2515) (4601 -6593) (6638 -2874) (2877 -4344) (9496 -2972) (6850 -4491) (3804 -6380) (7372 -2466) (9468 -5842) (10051 -6426))
STRUCTURE-BONDS ((1 36 1) (2 37 1) (3 36 2) (4 37 2) (5 19 1) (6 20 1) (7 21 1) (8 22 1) (38 9 1 :DOWN) (39 10 1 :DOWN) (40 11 1 :DOWN) (41 12 1 :DOWN) (42 13 1 :UP) (43 14 1 :UP) (44 15 1 :UP) (45 16 1 :UP) (46 17 1 :DOWN) (47 18 1 :UP) (48 19 1 :UP) (49 20 1 :UP) (50 21 1 :UP) (51 22 1 :UP) (23 27 1) (52 23 1 :UP) (24 36 1) (58 24 1 :DOWN) (25 37 1) (59 25 1 :DOWN) (53 26 1 :UP) (56 27 1 :DOWN) (28 52 1) (28 53 1) (29 48 1) (29 54 1) (30 49 1) (30 55 1) (31 50 1) (31 56 1) (32 51 1) (32 57 1) (54 33 1 :UP) (61 33 1 :UP) (55 34 1 :UP) (62 34 1 :UP) (57 35 1 :DOWN) (60 35 1 :UP) (38 42 1) (38 48 1) (39 43 1) (39 49 1) (40 44 1) (40 50 1) (41 45 1) (41 51 1) (42 58 1) (43 59 1) (44 61 1) (45 62 1) (46 52 1) (46 60 1) (47 53 1) (47 60 1) (54 58 1) (55 59 1) (56 61 1) (57 62 1) (26 63 1)) ((63 64 1) (1 36 1) (2 37 1) (3 36 2) (4 37 2) (5 19 1) (6 20 1) (7 21 1) (8 22 1) (38 9 1 :DOWN) (39 10 1 :DOWN) (40 11 1 :DOWN) (41 12 1 :DOWN) (42 13 1 :UP) (43 14 1 :UP) (44 15 1 :UP) (45 16 1 :UP) (46 17 1 :DOWN) (47 18 1 :UP) (63 26 1) (48 19 1 :UP) (49 20 1 :UP) (50 21 1 :UP) (51 22 1 :UP) (23 27 1) (52 23 1 :UP) (24 36 1) (58 24 1 :DOWN) (25 37 1) (59 25 1 :DOWN) (53 26 1 :UP) (56 27 1 :DOWN) (28 52 1) (28 53 1) (29 48 1) (29 54 1) (30 49 1) (30 55 1) (31 50 1) (31 56 1) (32 51 1) (32 57 1) (54 33 1 :UP) (61 33 1 :UP) (55 34 1 :UP) (62 34 1 :UP) (57 35 1 :DOWN) (60 35 1 :UP) (38 42 1) (38 48 1) (39 43 1) (39 49 1) (40 44 1) (40 50 1) (41 45 1) (41 51 1) (42 58 1) (43 59 1) (44 61 1) (45 62 1) (46 52 1) (46 60 1) (47 53 1) (47 60 1) (54 58 1) (55 59 1) (56 61 1) (57 62 1))
STRUCTURE-ATOMS (C C O O O O O O O O O O O O O O O O C C C C C N N O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C |General-Glycoprotein-Substrates|) (C C O O O O O O O O O O O O O O O O C C C C C N N O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C R1 |Protein|)
CPD-190 an N-acetylglucosaminyl-diphosphodolichol STRUCTURE-BONDS ((101 103 1) (101 102 2) (100 101 1) (97 99 1) (97 98 2) (97 100 1) (96 97 1) (94 95 1 :DOWN) (92 93 1) (92 96 1 :UP) (91 94 1) (90 93 1) (90 94 1) (88 91 1) (88 92 1) (87 89 1) (93 87 1 :DOWN) (91 86 1 :UP) (90 85 1 :UP) (84 86 1) (83 89 2) (82 89 1) (101 81 1) (80 81 1) (77 79 1 :DOWN) (78 80 1) (77 78 1) (76 77 1) (75 76 1) (74 75 1) (72 74 2) (72 73 1) (70 71 1) (70 72 1) (69 71 1) (67 69 2) (67 68 1) (65 66 1) (65 67 1) (64 66 1) (62 64 2) (62 63 1) (60 61 1) (60 62 1) (59 61 1) (57 59 2) (57 58 1) (55 56 1) (55 57 1) (54 56 1) (52 54 2) (52 53 1) (50 51 1) (50 52 1) (49 51 1) (47 49 2) (47 48 1) (46 47 1) (46 45 1) (44 45 1) (42 44 2) (42 43 1) (41 42 1) (41 40 1) (39 40 1) (37 39 2) (37 38 1) (35 36 1) (35 37 1) (34 36 1) (32 34 2) (32 33 1) (31 32 1) (31 30 1) (29 30 1) (27 29 2) (27 28 1) (25 26 1) (25 27 1) (18 24 1) (23 24 1) (21 23 2) (21 22 1) (19 21 1) (19 20 1) (17 26 1) (15 17 2) (15 16 1) (18 15 1) (14 20 1) (11 12 1) (11 14 2) (11 13 1) (10 12 1) (9 10 1) (7 9 2) (7 8 1) (7 6 1) (5 6 1) (3 5 1) (2 4 1) (2 3 2) (2 1 1)) ((101 103 1) (101 102 2) (100 101 1) (97 99 1) (97 98 2) (97 100 1) (96 97 1) (94 95 1 :DOWN) (92 93 1) (92 96 1) (91 94 1) (90 93 1) (90 94 1) (88 91 1) (88 92 1) (87 89 1) (93 87 1 :DOWN) (91 86 1 :UP) (90 85 1 :UP) (84 86 1) (83 89 2) (82 89 1) (101 81 1) (80 81 1) (77 79 1 :DOWN) (78 80 1) (77 78 1) (76 77 1) (75 76 1) (74 75 1) (72 74 2) (72 73 1) (70 71 1) (70 72 1) (69 71 1) (67 69 2) (67 68 1) (65 66 1) (65 67 1) (64 66 1) (62 64 2) (62 63 1) (60 61 1) (60 62 1) (59 61 1) (57 59 2) (57 58 1) (55 56 1) (55 57 1) (54 56 1) (52 54 2) (52 53 1) (50 51 1) (50 52 1) (49 51 1) (47 49 2) (47 48 1) (46 47 1) (46 45 1) (44 45 1) (42 44 2) (42 43 1) (41 42 1) (41 40 1) (39 40 1) (37 39 2) (37 38 1) (35 36 1) (35 37 1) (34 36 1) (32 34 2) (32 33 1) (31 32 1) (31 30 1) (29 30 1) (27 29 2) (27 28 1) (25 26 1) (25 27 1) (18 24 1) (23 24 1) (21 23 2) (21 22 1) (19 21 1) (19 20 1) (17 26 1) (15 17 2) (15 16 1) (18 15 1) (14 20 1) (11 12 1) (11 14 2) (11 13 1) (10 12 1) (9 10 1) (7 9 2) (7 8 1) (7 6 1) (5 6 1) (3 5 1) (2 4 1) (2 3 2) (2 1 1))
Glycerophosphodiesters a glycerophosphodiester ATOM-CHARGES (4 -1) NIL
DISPLAY-COORDS-2D ((-26724 -2122) (-20891 -7955) (-20891 -16205) (-29140 -16205) (-12642 -16205) (-20891 -24454) (-13747 -28578) (-33868 -6247) (-41013 -2122) (-46846 -7955) (-36003 -14216)) ((-26724 -2122) (-20891 -7955) (-20891 -16205) (-29141 -16205) (-12642 -16205) (-20891 -24454) (-13747 -28579) (-33869 -6247) (-41014 -2122) (-46847 -7955) (-36004 -14216))
NAc-glucosaminyl-b-D-mannosyl-R 4-(N-acetyl-β-D-glucosaminyl)-β-D-mannosyl-[glycoprotein] DISPLAY-COORDS-2D ((0 -832800) (1420400 0) (1422800 -2479100) (2851500 -2481000) (712300 -1239600) (712300 -2068900) (1422800 -820300) (2142300 -1239600) (2142300 -2068900) (2000 -2479100) (2000 -3303800) (2855000 -6000) (3570100 405000) (2853400 -830800) (2141600 407700) (3566000 -2893500) (4280500 -4131100) (3566000 -3718600) (4280500 -2481000) (4994900 -2893500) (4994900 -3718600) (5709400 -4131100) (5709400 -2481000) (4280500 -1656000) (2851500 -4131100) (2137100 -3718600) (5709400 -4956100)) ((4.8737 -7.9572) (5.2443 -9.3377) (9.7165 -7.3245) (8.3307 -9.6994) (6.945 -9.634) (5.0313 -4.5857) (9.4358 -8.1488) (7.9512 -5.889) (6.0375 -8.1325) (8.7592 -5.7078) (8.1488 -7.2086) (7.1923 -4.7506) (7.1425 -6.5655) (5.1301 -6.186) (5.2947 -8.4994) (8.1488 -8.8914) (7.3075 -8.8914) (5.7902 -4.8991) (8.6107 -8.1488) (7.1923 -5.5756) (6.5492 -4.4208) (7.3075 -7.2086) (6.7964 -8.1161) (5.7902 -5.7242) (6.5492 -6.0375) (6.3012 -3.5965) (6.3012 -1.9465) (6.3012 -2.7715))
STRUCTURE-BONDS ((12 15 2) (12 13 1) (14 12 1) (10 11 1) (6 10 1 :UP) (5 1 1 :DOWN) (7 2 1 :UP) (8 14 1 :DOWN) (3 6 1) (3 9 1) (9 4 1 :DOWN) (5 6 1) (5 7 1) (7 8 1) (8 9 1) (16 4 1 :DOWN) (18 16 1) (16 19 1) (17 18 1) (19 20 1) (20 21 1) (17 21 1) (21 22 1 :UP) (20 23 1 :UP) (19 24 1 :UP) (18 25 1 :UP) (25 26 1) (22 27 1)) ((28 27 1) (26 28 1) (24 25 1) (22 23 1) (20 25 1) (18 24 1) (18 21 1) (17 23 1) (16 19 1) (16 17 1) (24 14 1 :UP) (25 13 1 :DOWN) (22 13 1 :UP) (21 26 1 :UP) (12 21 1) (12 20 1) (11 22 1) (11 19 1) (23 9 1 :DOWN) (9 15 1) (20 8 1 :UP) (8 10 1) (19 7 1 :UP) (18 6 1 :UP) (17 5 1 :UP) (16 4 1 :DOWN) (3 7 1) (2 15 2) (1 15 1))
STRUCTURE-ATOMS (O O O O C C C C C C O C C N O C O C C C C O O O C O |General-Glycoprotein-Substrates|) (C O O O O O C C N O O O O O C C C C C C C C C C C O |Protein| R1)
NN-DIACETYLCHITOBIOSYLDIPHOSPHODOLICHO an (N-acetylglucosaminyl)2-diphosphodolichol STRUCTURE-BONDS ((110 111 1) (110 116 2) (117 110 1) (109 113 1) (112 108 1) (107 117 1 :DOWN) (107 108 1) (106 115 1 :UP) (106 107 1) (105 114 1 :DOWN) (105 106 1) (104 109 1 :UP) (104 105 1) (112 104 1) (108 103 1 :UP) (100 102 1) (100 101 2) (99 100 1) (96 98 1) (96 97 2) (96 99 1) (95 96 1) (94 103 1 :DOWN) (92 93 1) (92 95 1 :UP) (91 94 1) (90 93 1) (90 94 1) (88 91 1) (88 92 1) (87 89 1) (93 87 1 :DOWN) (91 86 1 :UP) (90 85 1 :UP) (84 86 1) (83 89 2) (82 89 1) (100 81 1) (80 81 1) (77 79 1 :DOWN) (78 80 1) (77 78 1) (76 77 1) (75 76 1) (74 75 1) (72 74 2) (72 73 1) (70 71 1) (70 72 1) (69 71 1) (67 69 2) (67 68 1) (65 66 1) (65 67 1) (64 66 1) (62 64 2) (62 63 1) (60 61 1) (60 62 1) (59 61 1) (57 59 2) (57 58 1) (55 56 1) (55 57 1) (54 56 1) (52 54 2) (52 53 1) (50 51 1) (50 52 1) (49 51 1) (47 49 2) (47 48 1) (46 47 1) (46 45 1) (44 45 1) (42 44 2) (42 43 1) (41 42 1) (41 40 1) (39 40 1) (37 39 2) (37 38 1) (35 36 1) (35 37 1) (34 36 1) (32 34 2) (32 33 1) (31 32 1) (31 30 1) (29 30 1) (27 29 2) (27 28 1) (25 26 1) (25 27 1) (18 24 1) (23 24 1) (21 23 2) (21 22 1) (19 21 1) (19 20 1) (17 26 1) (15 17 2) (15 16 1) (18 15 1) (14 20 1) (11 12 1) (11 14 2) (11 13 1) (10 12 1) (9 10 1) (7 9 2) (7 8 1) (7 6 1) (5 6 1) (3 5 1) (2 4 1) (2 3 2) (2 1 1)) ((110 111 1) (110 116 2) (117 110 1) (109 113 1) (112 108 1) (107 117 1 :DOWN) (107 108 1) (106 115 1 :UP) (106 107 1) (105 114 1 :DOWN) (105 106 1) (104 109 1 :UP) (104 105 1) (112 104 1) (108 103 1 :UP) (100 102 1) (100 101 2) (99 100 1) (96 98 1) (96 97 2) (96 99 1) (95 96 1) (94 103 1 :DOWN) (92 93 1) (92 95 1) (91 94 1) (90 93 1) (90 94 1) (88 91 1) (88 92 1) (87 89 1) (93 87 1 :DOWN) (91 86 1 :UP) (90 85 1 :UP) (84 86 1) (83 89 2) (82 89 1) (100 81 1) (80 81 1) (77 79 1 :DOWN) (78 80 1) (77 78 1) (76 77 1) (75 76 1) (74 75 1) (72 74 2) (72 73 1) (70 71 1) (70 72 1) (69 71 1) (67 69 2) (67 68 1) (65 66 1) (65 67 1) (64 66 1) (62 64 2) (62 63 1) (60 61 1) (60 62 1) (59 61 1) (57 59 2) (57 58 1) (55 56 1) (55 57 1) (54 56 1) (52 54 2) (52 53 1) (50 51 1) (50 52 1) (49 51 1) (47 49 2) (47 48 1) (46 47 1) (46 45 1) (44 45 1) (42 44 2) (42 43 1) (41 42 1) (41 40 1) (39 40 1) (37 39 2) (37 38 1) (35 36 1) (35 37 1) (34 36 1) (32 34 2) (32 33 1) (31 32 1) (31 30 1) (29 30 1) (27 29 2) (27 28 1) (25 26 1) (25 27 1) (18 24 1) (23 24 1) (21 23 2) (21 22 1) (19 21 1) (19 20 1) (17 26 1) (15 17 2) (15 16 1) (18 15 1) (14 20 1) (11 12 1) (11 14 2) (11 13 1) (10 12 1) (9 10 1) (7 9 2) (7 8 1) (7 6 1) (5 6 1) (3 5 1) (2 4 1) (2 3 2) (2 1 1))
TRI-N-ACETYL-BETA-D-GLUCOSAMINYL N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,3-(N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,6)-(N-acetyl-β-D-glucosaminyl-1,4)-β-D-mannosyl-1,4-N-acetyl-β-D-glucosaminyl-R DISPLAY-COORDS-2D ((107554 -94855) (42063 -38275) (65158 -68625) (37280 -18973) (92709 -93199) (27381 -36456) (56744 -67964) (35631 -4292) (136093 -71596) (0 -59714) (97165 -73245) (110361 -30515) (57405 -97492) (76869 -35965) (129328 -83307) (5771 -49325) (83307 -96994) (116458 -42063) (41401 -93370) (114809 -91060) (19962 -41074) (69450 -96340) (116131 -58229) (30024 -81659) (50313 -45857) (48664 -27714) (129328 -66807) (5771 -65655) (94358 -81488) (102437 -32995) (57405 -89241) (77039 -27714) (79512 -58890) (100462 -82313) (34309 -49325) (60375 -81325) (48501 -11221) (63012 -2970) (87592 -57078) (69777 -15342) (114809 -66316) (19962 -65655) (81488 -72086) (71923 -47506) (94855 -45033) (53773 -75384) (63012 -35965) (101777 -65819) (34309 -65655) (71425 -65655) (51301 -61860) (100462 -90563) (34309 -41074) (60375 -75220) (40250 -11221) (122399 -79015) (12869 -53446) (81488 -88914) (109039 -45694) (43711 -85447) (114809 -82810) (19962 -49325) (73075 -88914) (109039 -53944) (37940 -79512) (57902 -48991) (55756 -23593) (122399 -70765) (12869 -61533) (86107 -81488) (102437 -41238) (51634 -83307) (69777 -23593) (71923 -55756) (63012 -11221) (65492 -44208) (108051 -70111) (27054 -61533) (73075 -72086) (94855 -53283) (48003 -69450) (108051 -78354) (27054 -53446) (67964 -81161) (55756 -15342) (63012 -27714) (101777 -57569) (40087 -71596) (57902 -57242) (65492 -60375) (70765 0)) ((107554 -94855) (42063 -38275) (65158 -68625) (37280 -18973) (92709 -93199) (27381 -36456) (56744 -67964) (35631 -4292) (136093 -71596) (0 -59714) (97165 -73245) (110361 -30515) (57405 -97492) (76869 -35965) (129328 -83307) (5771 -49325) (83307 -96994) (116458 -42063) (41401 -93370) (114809 -91060) (19962 -41074) (69450 -96340) (116131 -58229) (30024 -81659) (50313 -45857) (48664 -27714) (129328 -66807) (5771 -65655) (94358 -81488) (102437 -32995) (57405 -89241) (77039 -27714) (79512 -58890) (100462 -82313) (34309 -49325) (60375 -81325) (48501 -11221) (63012 -2970) (87592 -57078) (69777 -15342) (114809 -66316) (19962 -65655) (81488 -72086) (71923 -47506) (94855 -45033) (53773 -75384) (63012 -35965) (101777 -65819) (34309 -65655) (71425 -65655) (51301 -61860) (100462 -90563) (34309 -41074) (60375 -75220) (40250 -11221) (122399 -79015) (12869 -53446) (81488 -88914) (109039 -45694) (43711 -85447) (114809 -82810) (19962 -49325) (73075 -88914) (109039 -53944) (37940 -79512) (57902 -48991) (55756 -23593) (122399 -70765) (12869 -61533) (86107 -81488) (102437 -41238) (51634 -83307) (69777 -23593) (71923 -55756) (63012 -11221) (65492 -44208) (108051 -70111) (27054 -61533) (73075 -72086) (94855 -53283) (48003 -69450) (108051 -78354) (27054 -53446) (67964 -81161) (55756 -15342) (63012 -27714) (101777 -57569) (40087 -71596) (57902 -57242) (65492 -60375) (70765 0) (79015 0))
STRUCTURE-BONDS ((1 52 1) (2 53 1) (3 54 1) (4 55 1) (5 52 2) (6 53 2) (7 54 2) (8 55 2) (9 27 1) (10 28 1) (11 29 1) (12 30 1) (13 31 1) (14 32 1) (56 15 1 :DOWN) (57 16 1 :DOWN) (58 17 1 :DOWN) (59 18 1 :DOWN) (60 19 1 :DOWN) (61 20 1 :UP) (62 21 1 :UP) (63 22 1 :UP) (64 23 1 :UP) (65 24 1 :UP) (66 25 1 :UP) (67 26 1 :UP) (91 38 1) (68 27 1 :UP) (69 28 1 :UP) (70 29 1 :UP) (71 30 1 :UP) (72 31 1 :UP) (73 32 1 :UP) (33 39 1) (74 33 1 :UP) (34 52 1) (82 34 1 :DOWN) (35 53 1) (83 35 1 :DOWN) (36 54 1) (84 36 1 :DOWN) (37 55 1) (85 37 1 :DOWN) (75 38 1 :UP) (80 39 1 :DOWN) (40 73 1) (40 75 1) (41 68 1) (41 77 1) (42 69 1) (42 78 1) (43 70 1) (43 79 1) (44 74 1) (44 76 1) (45 71 1) (45 80 1) (46 72 1) (46 81 1) (76 47 1 :UP) (86 47 1 :DOWN) (77 48 1 :UP) (87 48 1 :UP) (78 49 1 :UP) (88 49 1 :UP) (79 50 1 :UP) (90 50 1 :DOWN) (81 51 1 :DOWN) (89 51 1 :UP) (56 61 1) (56 68 1) (57 62 1) (57 69 1) (58 63 1) (58 70 1) (59 64 1) (59 71 1) (60 65 1) (60 72 1) (61 82 1) (62 83 1) (63 84 1) (64 87 1) (65 88 1) (66 76 1) (66 89 1) (67 85 1) (67 86 1) (73 86 1) (74 90 1) (75 85 1) (77 82 1) (78 83 1) (79 84 1) (80 87 1) (81 88 1) (89 90 1)) ((91 92 1) (1 52 1) (2 53 1) (3 54 1) (4 55 1) (5 52 2) (6 53 2) (7 54 2) (8 55 2) (9 27 1) (10 28 1) (11 29 1) (12 30 1) (13 31 1) (14 32 1) (56 15 1 :DOWN) (57 16 1 :DOWN) (58 17 1 :DOWN) (59 18 1 :DOWN) (60 19 1 :DOWN) (61 20 1 :UP) (62 21 1 :UP) (63 22 1 :UP) (64 23 1 :UP) (65 24 1 :UP) (66 25 1 :UP) (67 26 1 :UP) (91 38 1) (68 27 1 :UP) (69 28 1 :UP) (70 29 1 :UP) (71 30 1 :UP) (72 31 1 :UP) (73 32 1 :UP) (33 39 1) (74 33 1 :UP) (34 52 1) (82 34 1 :DOWN) (35 53 1) (83 35 1 :DOWN) (36 54 1) (84 36 1 :DOWN) (37 55 1) (85 37 1 :DOWN) (75 38 1 :UP) (80 39 1 :DOWN) (40 73 1) (40 75 1) (41 68 1) (41 77 1) (42 69 1) (42 78 1) (43 70 1) (43 79 1) (44 74 1) (44 76 1) (45 71 1) (45 80 1) (46 72 1) (46 81 1) (76 47 1 :UP) (86 47 1 :DOWN) (77 48 1 :UP) (87 48 1 :UP) (78 49 1 :UP) (88 49 1 :UP) (79 50 1 :UP) (90 50 1 :DOWN) (81 51 1 :DOWN) (89 51 1 :UP) (56 61 1) (56 68 1) (57 62 1) (57 69 1) (58 63 1) (58 70 1) (59 64 1) (59 71 1) (60 65 1) (60 72 1) (61 82 1) (62 83 1) (63 84 1) (64 87 1) (65 88 1) (66 76 1) (66 89 1) (67 85 1) (67 86 1) (73 86 1) (74 90 1) (75 85 1) (77 82 1) (78 83 1) (79 84 1) (80 87 1) (81 88 1) (89 90 1))
STRUCTURE-ATOMS (C C C C O O O O O O O O O O O O O O O O O O O O O O C C C C C C C N N N N O O O O O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C |General-Glycoprotein-Substrates|) (C C C C O O O O O O O O O O O O O O O O O O O O O O C C C C C C C N N N N O O O O O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C R1 |Protein|)
b-D-mannosyl-R β-D-mannosyl-[glycoprotein] DISPLAY-COORDS-2D ((24638 -5210) (17493 -1085) (17493 7165) (24638 11290) (31782 7165) (31782 -1085) (38927 -5210) (38927 11290) (24638 19540) (10348 11290) (10348 -5210) (3204 -1085) (38927 -13460)) ((6.5494 -6.8785) (4.9658 -4.5684) (7.9687 -5.9049) (8.7766 -5.707) (7.2094 -4.7498) (6.3023 -3.5948) (5.1308 -6.202) (6.5494 -6.0534) (5.7909 -4.8984) (7.2094 -5.5749) (6.5494 -4.4198) (5.7909 -5.7234) (6.3023 -1.9455) (6.3023 -2.7705))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (6 7 1 :UP) (5 8 1 :UP) (4 9 1 :UP) (3 10 1 :DOWN) (2 11 1 :UP) (11 12 1) (7 13 1)) ((14 13 1) (9 12 1) (9 11 1) (8 12 1) (8 10 1) (12 7 1 :UP) (14 6 1 :DOWN) (11 6 1 :UP) (5 11 1) (5 10 1) (10 3 1 :UP) (3 4 1) (9 2 1 :UP) (8 1 1 :DOWN))
STRUCTURE-ATOMS (O C C C C C O O O O C O |General-Glycoprotein-Substrates|) (O O C O O O O C C C C C |Protein| R1)
DI-N-ACETYL-BETA-D-GLUCOSAMINYL N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,3-(N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,6)-β-D-mannosyl-1,4-N-acetyl-β-D-glucosaminyl-R DISPLAY-COORDS-2D ((107731 -95014) (41901 -38263) (37286 -18955) (92881 -93364) (27386 -36448) (35801 -4440) (136767 -72078) (0 -59870) (110867 -30341) (57416 -96993) (77044 -35948) (129510 -83464) (5772 -49313) (116967 -41891) (41408 -93529) (114989 -91221) (19965 -41063) (116310 -58385) (29858 -81814) (65494 -68785) (49658 -45684) (48665 -27705) (129510 -66963) (5772 -65813) (102617 -32984) (57416 -89407) (77209 -27705) (79687 -59049) (100638 -82478) (34315 -49313) (48501 -11205) (63023 -2955) (87766 -57070) (72094 -47498) (69952 -15327) (114989 -66471) (19965 -65813) (95030 -45027) (53780 -75543) (63023 -35948) (51308 -62020) (101960 -65978) (34315 -65813) (100638 -90721) (34315 -41063) (40258 -11205) (122581 -79178) (12871 -53441) (109217 -45684) (43722 -85607) (114989 -82971) (19965 -49313) (109217 -53934) (37944 -79671) (65494 -60534) (57909 -48984) (55766 -23577) (122581 -70928) (12871 -61685) (102617 -41227) (51637 -83464) (72094 -55749) (69952 -23577) (63023 -11205) (65494 -44198) (108224 -70263) (27058 -61685) (95030 -53270) (48008 -69606) (108224 -78514) (27058 -53441) (55766 -15327) (57909 -57234) (63023 -27705) (101960 -57728) (40087 -71749) (70735 0)) ((107731 -95014) (41901 -38263) (37286 -18955) (92881 -93364) (27386 -36448) (35801 -4440) (136767 -72078) (0 -59870) (110867 -30341) (57416 -96993) (77044 -35948) (129510 -83464) (5772 -49313) (116967 -41891) (41408 -93529) (114989 -91221) (19965 -41063) (116310 -58385) (29858 -81814) (65494 -68785) (49658 -45684) (48665 -27705) (129510 -66963) (5772 -65813) (102617 -32984) (57416 -89407) (77209 -27705) (79687 -59049) (100638 -82478) (34315 -49313) (48501 -11205) (63023 -2955) (87766 -57070) (72094 -47498) (69952 -15327) (114989 -66471) (19965 -65813) (95030 -45027) (53780 -75543) (63023 -35948) (51308 -62020) (101960 -65978) (34315 -65813) (100638 -90721) (34315 -41063) (40258 -11205) (122581 -79178) (12871 -53441) (109217 -45684) (43722 -85607) (114989 -82971) (19965 -49313) (109217 -53934) (37944 -79671) (65494 -60534) (57909 -48984) (55766 -23577) (122581 -70928) (12871 -61685) (102617 -41227) (51637 -83464) (72094 -55749) (69952 -23577) (63023 -11205) (65494 -44198) (108224 -70263) (27058 -61685) (95030 -53270) (48008 -69606) (108224 -78514) (27058 -53441) (55766 -15327) (57909 -57234) (63023 -27705) (101960 -57728) (40087 -71749) (70735 0) (78985 0))
STRUCTURE-BONDS ((1 44 1) (2 45 1) (3 46 1) (4 44 2) (5 45 2) (6 46 2) (7 23 1) (8 24 1) (9 25 1) (10 26 1) (11 27 1) (47 12 1 :DOWN) (48 13 1 :DOWN) (49 14 1 :DOWN) (50 15 1 :DOWN) (51 16 1 :UP) (52 17 1 :UP) (53 18 1 :UP) (54 19 1 :UP) (55 20 1 :DOWN) (56 21 1 :UP) (57 22 1 :UP) (77 32 1) (58 23 1 :UP) (59 24 1 :UP) (60 25 1 :UP) (61 26 1 :UP) (63 27 1 :UP) (28 33 1) (62 28 1 :UP) (29 44 1) (70 29 1 :DOWN) (30 45 1) (71 30 1 :DOWN) (31 46 1) (72 31 1 :DOWN) (64 32 1 :UP) (68 33 1 :DOWN) (34 62 1) (34 65 1) (35 63 1) (35 64 1) (36 58 1) (36 66 1) (37 59 1) (37 67 1) (38 60 1) (38 68 1) (39 61 1) (39 69 1) (65 40 1 :UP) (74 40 1 :DOWN) (69 41 1 :DOWN) (73 41 1 :UP) (66 42 1 :UP) (75 42 1 :UP) (67 43 1 :UP) (76 43 1 :UP) (47 51 1) (47 58 1) (48 52 1) (48 59 1) (49 53 1) (49 60 1) (50 54 1) (50 61 1) (51 70 1) (52 71 1) (53 75 1) (54 76 1) (55 62 1) (55 73 1) (56 65 1) (56 73 1) (57 72 1) (57 74 1) (63 74 1) (64 72 1) (66 70 1) (67 71 1) (68 75 1) (69 76 1)) ((77 78 1) (1 44 1) (2 45 1) (3 46 1) (4 44 2) (5 45 2) (6 46 2) (7 23 1) (8 24 1) (9 25 1) (10 26 1) (11 27 1) (47 12 1 :DOWN) (48 13 1 :DOWN) (49 14 1 :DOWN) (50 15 1 :DOWN) (51 16 1 :UP) (52 17 1 :UP) (53 18 1 :UP) (54 19 1 :UP) (55 20 1 :DOWN) (56 21 1 :UP) (57 22 1 :UP) (77 32 1) (58 23 1 :UP) (59 24 1 :UP) (60 25 1 :UP) (61 26 1 :UP) (63 27 1 :UP) (28 33 1) (62 28 1 :UP) (29 44 1) (70 29 1 :DOWN) (30 45 1) (71 30 1 :DOWN) (31 46 1) (72 31 1 :DOWN) (64 32 1 :UP) (68 33 1 :DOWN) (34 62 1) (34 65 1) (35 63 1) (35 64 1) (36 58 1) (36 66 1) (37 59 1) (37 67 1) (38 60 1) (38 68 1) (39 61 1) (39 69 1) (65 40 1 :UP) (74 40 1 :DOWN) (69 41 1 :DOWN) (73 41 1 :UP) (66 42 1 :UP) (75 42 1 :UP) (67 43 1 :UP) (76 43 1 :UP) (47 51 1) (47 58 1) (48 52 1) (48 59 1) (49 53 1) (49 60 1) (50 54 1) (50 61 1) (51 70 1) (52 71 1) (53 75 1) (54 76 1) (55 62 1) (55 73 1) (56 65 1) (56 73 1) (57 72 1) (57 74 1) (63 74 1) (64 72 1) (66 70 1) (67 71 1) (68 75 1) (69 76 1))
STRUCTURE-ATOMS (C C C O O O O O O O O O O O O O O O O O O O C C C C C C N N N O O O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C |General-Glycoprotein-Substrates|) (C C C O O O O O O O O O O O O O O O O O O O C C C C C C N N N O O O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C R1 |Protein|)
ALPHA-D-MANNOSYLCHITOBIO a mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol STRUCTURE-BONDS ((123 125 1) (124 122 1) (121 128 1 :UP) (121 122 1) (120 127 1 :UP) (120 121 1) (119 126 1 :DOWN) (119 120 1) (118 123 1 :UP) (118 119 1) (124 118 1) (122 117 1 :UP) (110 111 1) (110 115 2) (116 110 1) (109 113 1) (112 108 1) (107 116 1 :DOWN) (107 108 1) (106 114 1 :UP) (106 107 1) (105 117 1 :DOWN) (105 106 1) (104 109 1 :UP) (104 105 1) (112 104 1) (108 103 1 :UP) (100 102 1) (100 101 2) (99 100 1) (96 98 1) (96 97 2) (96 99 1) (95 96 1) (94 103 1 :DOWN) (92 93 1) (92 95 1 :UP) (91 94 1) (90 93 1) (90 94 1) (88 91 1) (88 92 1) (87 89 1) (93 87 1 :DOWN) (91 86 1 :UP) (90 85 1 :UP) (84 86 1) (83 89 2) (82 89 1) (100 81 1) (80 81 1) (77 79 1 :DOWN) (78 80 1) (77 78 1) (76 77 1) (75 76 1) (74 75 1) (72 74 2) (72 73 1) (70 71 1) (70 72 1) (69 71 1) (67 69 2) (67 68 1) (65 66 1) (65 67 1) (64 66 1) (62 64 2) (62 63 1) (60 61 1) (60 62 1) (59 61 1) (57 59 2) (57 58 1) (55 56 1) (55 57 1) (54 56 1) (52 54 2) (52 53 1) (50 51 1) (50 52 1) (49 51 1) (47 49 2) (47 48 1) (46 47 1) (46 45 1) (44 45 1) (42 44 2) (42 43 1) (41 42 1) (41 40 1) (39 40 1) (37 39 2) (37 38 1) (35 36 1) (35 37 1) (34 36 1) (32 34 2) (32 33 1) (31 32 1) (31 30 1) (29 30 1) (27 29 2) (27 28 1) (25 26 1) (25 27 1) (18 24 1) (23 24 1) (21 23 2) (21 22 1) (19 21 1) (19 20 1) (17 26 1) (15 17 2) (15 16 1) (18 15 1) (14 20 1) (11 12 1) (11 14 2) (11 13 1) (10 12 1) (9 10 1) (7 9 2) (7 8 1) (7 6 1) (5 6 1) (3 5 1) (2 4 1) (2 3 2) (2 1 1)) ((123 125 1) (124 122 1) (121 128 1 :UP) (121 122 1) (120 127 1 :UP) (120 121 1) (119 126 1 :DOWN) (119 120 1) (118 123 1 :UP) (118 119 1) (124 118 1) (122 117 1 :UP) (110 111 1) (110 115 2) (116 110 1) (109 113 1) (112 108 1) (107 116 1 :DOWN) (107 108 1) (106 114 1 :UP) (106 107 1) (105 117 1 :DOWN) (105 106 1) (104 109 1 :UP) (104 105 1) (112 104 1) (108 103 1 :UP) (100 102 1) (100 101 2) (99 100 1) (96 98 1) (96 97 2) (96 99 1) (95 96 1) (94 103 1 :DOWN) (92 93 1) (92 95 1) (91 94 1) (90 93 1) (90 94 1) (88 91 1) (88 92 1) (87 89 1) (93 87 1 :DOWN) (91 86 1 :UP) (90 85 1 :UP) (84 86 1) (83 89 2) (82 89 1) (100 81 1) (80 81 1) (77 79 1 :DOWN) (78 80 1) (77 78 1) (76 77 1) (75 76 1) (74 75 1) (72 74 2) (72 73 1) (70 71 1) (70 72 1) (69 71 1) (67 69 2) (67 68 1) (65 66 1) (65 67 1) (64 66 1) (62 64 2) (62 63 1) (60 61 1) (60 62 1) (59 61 1) (57 59 2) (57 58 1) (55 56 1) (55 57 1) (54 56 1) (52 54 2) (52 53 1) (50 51 1) (50 52 1) (49 51 1) (47 49 2) (47 48 1) (46 47 1) (46 45 1) (44 45 1) (42 44 2) (42 43 1) (41 42 1) (41 40 1) (39 40 1) (37 39 2) (37 38 1) (35 36 1) (35 37 1) (34 36 1) (32 34 2) (32 33 1) (31 32 1) (31 30 1) (29 30 1) (27 29 2) (27 28 1) (25 26 1) (25 27 1) (18 24 1) (23 24 1) (21 23 2) (21 22 1) (19 21 1) (19 20 1) (17 26 1) (15 17 2) (15 16 1) (18 15 1) (14 20 1) (11 12 1) (11 14 2) (11 13 1) (10 12 1) (9 10 1) (7 9 2) (7 8 1) (7 6 1) (5 6 1) (3 5 1) (2 4 1) (2 3 2) (2 1 1))
MANNOSYL-ETCETERA-MANNOSYL-R α-D-mannosyl-1,6-(N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,3)-β-D-mannosyl-[glycoprotein] DISPLAY-COORDS-2D ((9280 -3889) (8512 -5015) (0 -5538) (8659 0) (2859 -1600) (2091 -3545) (670 -4362) (9378 -1404) (4983 -392) (3529 -4362) (9263 -3055) (6437 -1225) (3823 -4852) (6584 -4134) (670 -6012) (7939 -506) (3578 -1209) (4232 -6437) (7809 -3790) (6992 -5718) (3529 -6012) (2091 -6012) (5603 -6078) (7155 -1682) (4280 -2450) (6421 -2875) (4983 -3693) (8512 -4182) (2091 -4362) (1388 -4770) (8577 -1780) (4983 -1225) (2810 -4770) (8577 -2597) (5718 -1633) (4607 -5064) (5996 -4704) (1388 -5603) (7939 -1324) (4280 -1633) (4819 -5865) (6192 -5505) (2810 -5603) (7155 -2515) (4983 -2875) (7842 -2973) (5195 -4492) (5718 -2467) (6992 -6543)) ((9283 -3890) (8515 -5017) (0 -5540) (8662 0) (2860 -1601) (2092 -3546) (670 -4364) (9381 -1405) (4985 -392) (3530 -4364) (9266 -3056) (6439 -1225) (3824 -4854) (6586 -4135) (670 -6014) (7942 -506) (3579 -1209) (4233 -6439) (7812 -3791) (6995 -5720) (3530 -6014) (2092 -6014) (5605 -6080) (7158 -1683) (4282 -2451) (6423 -2876) (4985 -3694) (8515 -4184) (2092 -4364) (1389 -4772) (8580 -1781) (4985 -1225) (2811 -4772) (8580 -2598) (5720 -1634) (4609 -5066) (5998 -4706) (1389 -5605) (7942 -1324) (4282 -1634) (4821 -5867) (6194 -5507) (2811 -5605) (7158 -2516) (4985 -2876) (7845 -2974) (5197 -4494) (5720 -2468) (7809 -5940) (8634 -5940))
STRUCTURE-BONDS ((1 28 1) (2 28 2) (3 15 1) (4 16 1) (5 17 1) (29 6 1 :UP) (30 7 1 :DOWN) (31 8 1 :DOWN) (32 9 1 :DOWN) (33 10 1 :UP) (34 11 1 :UP) (35 12 1 :UP) (36 13 1 :DOWN) (37 14 1 :UP) (38 15 1 :UP) (39 16 1 :UP) (40 17 1 :UP) (18 21 1) (41 18 1 :UP) (19 28 1) (46 19 1 :DOWN) (42 20 1 :UP) (43 21 1 :DOWN) (22 38 1) (22 43 1) (23 41 1) (23 42 1) (24 39 1) (24 44 1) (25 40 1) (25 45 1) (44 26 1 :UP) (48 26 1 :UP) (45 27 1 :DOWN) (47 27 1 :UP) (29 30 1) (29 33 1) (30 38 1) (31 34 1) (31 39 1) (32 35 1) (32 40 1) (33 43 1) (34 46 1) (35 48 1) (36 41 1) (36 47 1) (37 42 1) (37 47 1) (44 46 1) (45 48 1) (20 49 1)) ((49 50 1) (1 28 1) (2 28 2) (3 15 1) (4 16 1) (5 17 1) (29 6 1 :UP) (30 7 1 :DOWN) (31 8 1 :DOWN) (32 9 1 :DOWN) (33 10 1 :UP) (34 11 1 :UP) (35 12 1 :UP) (36 13 1 :DOWN) (37 14 1 :UP) (49 20 1) (38 15 1 :UP) (39 16 1 :UP) (40 17 1 :UP) (18 21 1) (41 18 1 :UP) (19 28 1) (46 19 1 :DOWN) (42 20 1 :UP) (43 21 1 :DOWN) (22 38 1) (22 43 1) (23 41 1) (23 42 1) (24 39 1) (24 44 1) (25 40 1) (25 45 1) (44 26 1 :UP) (48 26 1 :UP) (45 27 1 :DOWN) (47 27 1 :UP) (29 30 1) (29 33 1) (30 38 1) (31 34 1) (31 39 1) (32 35 1) (32 40 1) (33 43 1) (34 46 1) (35 48 1) (36 41 1) (36 47 1) (37 42 1) (37 47 1) (44 46 1) (45 48 1))
STRUCTURE-ATOMS (C O O O O O O O O O O O O O C C C C N O O O O O O O O C C C C C C C C C C C C C C C C C C C C C |General-Glycoprotein-Substrates|) (C O O O O O O O O O O O O O C C C C N O O O O O O O O C C C C C C C C C C C C C C C C C C C C C R1 |Protein|)
DOLICHOL a dolichol DISPLAY-COORDS-2D ((435387 -51660) (435387 -43410) (428237 -39280) (421097 -43410) (421097 -51660) (413947 -64030) (413947 -55780) (406807 -51660) (399658 -55780) (399658 -64030) (392517 -76410) (392517 -68160) (385368 -64030) (356789 -80530) (356789 -88780) (349649 -101160) (349649 -92910) (342499 -88780) (313919 -113530) (306779 -125900) (306779 -117650) (299629 -113530) (292479 -117650) (285340 -113530) (278200 -117650) (278200 -125900) (271050 -113530) (263910 -117650) (256760 -113530) (249620 -117650) (249620 -125900) (242470 -113530) (235330 -117650) (228180 -113530) (213890 -113530) (221040 -117650) (221040 -125900) (363929 -76410) (371077 -80530) (378218 -76410) (371077 -88780) (378218 -68150) (313919 -105280) (321059 -101160) (328209 -105280) (335349 -101160) (328209 -113530) (335349 -92900) (549707 22600) (542567 10220) (542567 18470) (535417 22600) (528277 18470) (528277 10220) (521127 -2150) (521127 6100) (513987 10220) (506837 6100) (506837 -2150) (499697 -14530) (499697 -6280) (492547 -2150) (463967 -18650) (463967 -26900) (456827 -39280) (456827 -31030) (449677 -26900) (471107 -14530) (478257 -18650) (485397 -14530) (478257 -26900) (485397 -6270) (442527 -39280) (442527 -31020) (549707 30850) (556852 34975) (563997 30850) (563997 22600) (571141 34975) (571141 43225) (578286 47350)) ((32866 0) (33580 -1238) (32152 -3712) (30722 -6188) (29293 -8662) (27150 -9900) (25006 -11138) (22863 -12375) (20719 -13612) (18576 -14850) (16433 -16088) (14290 -17325) (12146 -18562) (10002 -19800) (7859 -21038) (5716 -22275) (2143 -21038) (0 -22275) (32152 -1238) (30722 -3712) (29293 -6188) (27864 -8662) (25721 -9900) (23577 -11138) (21434 -12375) (19291 -13612) (17147 -14850) (15004 -16088) (12861 -17325) (10717 -18562) (8574 -19800) (6430 -21038) (4287 -22275) (714 -21862) (32152 -2062) (30722 -4538) (29293 -7012) (27150 -8250) (25006 -9488) (22863 -10725) (20719 -11962) (18576 -13200) (16433 -14438) (14290 -15675) (12146 -16912) (10002 -18150) (7859 -19388) (5716 -20625) (3572 -21862) (31437 -2475) (30008 -4950) (28579 -7425) (26435 -8662) (24292 -9900) (22149 -11138) (20005 -12375) (17862 -13612) (15719 -14850) (13575 -16088) (11432 -17325) (9288 -18562) (7144 -19800) (5001 -21038) (1429 -22275) (2858 -22275) (32866 -825) (31437 -3300) (30008 -5775) (28579 -8250) (26435 -9488) (24292 -10725) (22149 -11962) (20005 -13200) (17862 -14438) (15719 -15675) (13575 -16912) (11432 -18150) (9288 -19388) (7144 -20625) (5001 -21862) (2143 -21862))
STRUCTURE-BONDS ((73 2 2) (2 1 1) (2 3 1) (3 4 1) (4 5 1) (5 7 2) (7 6 1) (7 8 1) (8 9 1) (9 10 1) (10 12 2) (12 11 1) (12 13 1) (14 15 1) (15 17 2) (17 16 1) (17 18 1) (19 21 2) (21 20 1) (21 22 1) (22 23 1) (23 24 1) (24 25 2) (25 27 1) (25 26 1) (27 28 1) (28 29 1) (29 30 2) (30 32 1) (30 31 1) (32 33 1) (33 34 1) (34 36 2) (36 35 1) (36 37 1) (14 38 1) (38 39 1) (39 40 2) (39 41 1) (40 42 1) (42 13 1) (19 43 1) (43 44 1) (44 45 1) (45 46 2) (45 47 1) (46 48 1) (48 18 1) (49 51 2) (51 50 1) (51 52 1) (52 53 1) (53 54 1) (54 56 2) (56 55 1) (56 57 1) (57 58 1) (58 59 1) (59 61 2) (61 60 1) (61 62 1) (63 64 1) (64 66 2) (66 65 1) (66 67 1) (63 68 1) (68 69 1) (69 70 2) (69 71 1) (70 72 1) (72 62 1) (73 74 1) (74 67 1) (75 49 1) (75 76 1) (76 77 1) (77 78 1 :UP) (77 79 1) (79 80 1) (80 81 1)) ((65 81 1) (64 81 1) (63 80 1) (62 79 1) (61 78 1) (60 77 1) (59 76 1) (58 75 1) (57 74 1) (56 73 1) (55 72 1) (54 71 1) (53 70 1) (52 69 1) (51 68 1) (50 67 1) (49 65 1) (48 63 1) (47 62 1) (46 61 1) (45 60 1) (44 59 1) (43 58 1) (42 57 1) (41 56 1) (40 55 1) (39 54 1) (38 53 1) (37 52 1) (36 51 1) (35 50 1) (34 64 1) (33 80 2) (33 49 1) (32 79 2) (32 48 1) (31 78 2) (31 47 1) (30 77 2) (30 46 1) (29 76 2) (29 45 1) (28 75 2) (28 44 1) (27 74 2) (27 43 1) (26 73 2) (26 42 1) (25 72 2) (25 41 1) (24 71 2) (24 40 1) (23 70 2) (23 39 1) (22 69 2) (22 38 1) (21 68 2) (21 37 1) (20 67 2) (20 36 1) (19 66 2) (19 35 1) (18 34 1) (81 17 1 :DOWN) (16 80 1) (15 79 1) (14 78 1) (13 77 1) (12 76 1) (11 75 1) (10 74 1) (9 73 1) (8 72 1) (7 71 1) (6 70 1) (5 69 1) (4 68 1) (3 67 1) (2 66 1) (1 66 1))
STRUCTURE-ATOMS (C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C O) (C C C C C C C C C C C C C C C C C O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C)
3-AMINO-ISOBUTYRATE 3-amino-isobutyrate ATOM-CHARGES ((7 1) (6 -1)) ((7 1) (3 -1))
DISPLAY-COORDS-2D ((5067 -1974) (-9253 -1974) (5067 6113) (-2070 -6113) (-2070 -14201) (12060 -6018) (-16293 -5970)) ((-72080 -19740) (71130 -19740) (-72080 61140) (-710 -61140) (-710 -142020) (-142020 -60190) (141540 -59710))
STRUCTURE-BONDS ((7 2 1) (6 1 1) (5 4 1) (4 1 1) (3 1 2) (2 4 1)) ((7 2 1) (6 1 2) (5 4 1) (4 1 1) (3 1 1) (2 4 1))
CPD-5727 5,10-methenyl-tetrahydropteroyl-[γ-Glu](n) AROMATIC-RINGS NIL (17 4 1 7 9 14)
ATOM-CHARGES (25 1) (13 1)
DISPLAY-COORDS-2D ((617 0) (73875 -17797) (14448 -25742) (29006 -30593) (62548 -23682) (62548 -37950) (54454 -23682) (54011 -37950) (35921 -5149) (42249 -17354) (14448 -881) (29006 -881) (82406 -30593) (73875 -26473) (7532 -5149) (66368 -31035) (50041 -30593) (21946 -5149) (21946 -13089) (14448 -17061) (89907 -30593) (35921 -13089) (42249 -30593) (7532 -13089) (29006 -17061)) ((-6887 -733) (9964 -10000) (-9714 -5635) (-3775 1055) (8140 -6887) (-10000 1055) (-6887 -4347) (5564 -4347) (-3775 -6136) (5564 -733) (2451 1055) (-3775 -9714) (2451 -6136) (-662 -4347) (2451 -10000) (6315 -10000) (-662 -733))
STRUCTURE-BONDS ((1 15 1) (2 14 2) (3 20 2) (4 23 1) (4 25 2) (5 7 2) (16 5 1) (8 6 1) (6 16 2) (7 17 1) (17 8 2) (9 12 1) (9 22 1) (22 10 1 :UP) (10 23 1) (11 15 1) (18 11 1) (12 18 1) (13 14 1) (13 21 1) (14 16 1) (15 24 2) (17 23 1) (19 18 2) (20 19 1) (19 25 1) (24 20 1) (22 25 1)) ((17 14 :AROMATIC) (17 11 1) (16 2 1) (16 15 1) (14 9 :AROMATIC) (13 14 1) (13 8 1) (13 15 2) (11 10 1) (10 8 1) (9 7 :AROMATIC) (9 12 2) (8 5 1 :UP) (7 3 1) (7 1 :AROMATIC) (5 16 1) (4 17 :AROMATIC) (1 4 :AROMATIC) (1 6 1))
STRUCTURE-ATOMS (N O O C C C C C C C N N N C C C C C C C R C N N N) (C R H N C N N C C C N O N C C N C)
HEPARIN-GLUCOSAMINE-3-O-SULFATE [heparan sulfate]-α-D-glucosamine 3-sulfate ATOM-CHARGES (16 -1) NIL
DISPLAY-COORDS-2D ((-25929 -10607) (-33073 -6482) (-33073 1768) (-25929 5893) (-18784 1768) (-18784 -6482) (-11639 -10607) (-12950 7602) (-25929 14143) (-40218 5893) (-38907 -12316) (-46052 -8191) (-11639 -18857) (-40218 14143) (-25929 22393) (-25929 30643) (-17679 22393) (-34179 22393)) ((-25929 -10607) (-33073 -6482) (-33073 1768) (-25929 5893) (-18784 1768) (-18784 -6482) (-11639 -10607) (-12950 7602) (-25929 14143) (-40218 5893) (-38907 -12316) (-46052 -8191) (-4494 -14732) (2650 -27108) (-4494 -22982) (2650 -10607) (9795 -14732) (9795 -22982) (-10328 -28816) (-10328 -37066) (-18297 -26681) (16940 -27107) (16940 -10607) (2650 -2357) (25190 -10607) (33440 -10607) (25190 -18857) (25190 -2357) (24084 -31232) (31229 -43608) (24084 -39483) (31229 -27107) (38374 -31232) (38374 -39483) (31229 -18857) (44207 -25399) (45518 -43608) (52663 -47733) (16940 -43608) (8690 -43608) (440 -43608) (52457 -25399) (60707 -25399) (52457 -33649) (52457 -17149) (8690 -51858) (8690 -35358) (-25929 22393) (-17679 22393) (-34179 22393) (-25929 30643))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (6 7 1 :DOWN) (5 8 1 :DOWN) (4 9 1 :UP) (3 10 1 :DOWN) (2 11 1 :UP) (11 12 1) (7 13 1) (10 14 1) (9 15 1) (15 16 1) (15 17 2) (15 18 2)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (6 7 1 :DOWN) (5 8 1 :DOWN) (4 9 1 :UP) (3 10 1 :DOWN) (2 11 1 :UP) (11 12 1) (7 13 1) (15 13 1) (13 16 1) (14 15 1) (16 17 1) (17 18 1) (14 18 1) (15 19 1 :DOWN) (19 20 2) (19 21 1) (18 22 1 :UP) (17 23 1 :DOWN) (16 24 1 :UP) (23 25 1) (25 26 2) (25 27 2) (25 28 1) (22 29 1 :DOWN) (31 29 1) (29 32 1) (30 31 1) (32 33 1) (33 34 1) (30 34 1) (32 35 1 :UP) (33 36 1 :DOWN) (34 37 1 :DOWN) (37 38 1) (31 39 1 :UP) (39 40 1) (40 41 2) (36 42 1) (42 43 2) (42 44 2) (42 45 1) (40 46 2) (40 47 1) (9 48 1) (48 49 2) (48 50 1) (48 51 2))
STRUCTURE-ATOMS (O C C C C C O N O O C O R1 R2 S O O O) (O C C C C C O N O O C O C O C C C C C O O O O O S O O O C O C C C C O N O R O S O S O O O O O S O O O)
CPD-11797 2-O-sulfolactate STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (2 7 2) (2 8 2) (5 9 2) (4 10 1)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (2 7 2) (2 8 2) (5 9 2) (4 10 1 :DOWN))
2-Oxo-Acids a 2-oxo acid ATOM-CHARGES (3 -1) NIL
DISPLAY-COORDS-2D ((7861 810) (14605 -20649) (22100 -8075) (0 -12112) (14660 -12112) (7861 -7440)) ((2200 9400) (9800 2000) (2200 2200) (-2600 -3000) (-10000 2000) (-2600 -10000))
STRUCTURE-BONDS ((5 6 1) (4 6 1) (3 5 1) (2 5 2) (1 6 2)) ((5 4 1) (4 6 2) (4 3 1) (3 2 2) (3 1 1))
STRUCTURE-ATOMS (O O O R C C) (O O C C R O)
GLUCURONATE D-glucuronate ATOM-CHARGES (8 -1) (2 -1)
DISPLAY-COORDS-2D ((6607 -3079) (5892 -3491) (5178 -3079) (4463 -3491) (3749 -3079) (3034 -3491) (7321 -3491) (2320 -3079) (3034 -4316) (5892 -4316) (5178 -2254) (4463 -4316) (3749 -2254)) ((714 -3300) (0 -2062) (3572 -2475) (3572 -825) (2143 0) (714 -825) (2143 -2475) (714 -2475) (2858 -2062) (2858 -1238) (2143 -825) (1429 -1238) (1429 -2062))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 7 2) (6 8 1) (6 9 2) (2 10 1 :UP) (3 11 1 :UP) (4 12 1 :UP) (5 13 1 :DOWN)) ((12 13 1) (11 12 1) (10 11 1) (9 10 1) (13 8 1 :UP) (7 13 1) (7 9 1) (12 6 1 :DOWN) (11 5 1 :UP) (10 4 1 :DOWN) (3 9 1) (2 8 1) (1 8 2))
STRUCTURE-ATOMS (C C C C C C O O O O O O O) (O O O O O O O C C C C C C)
FRUCTURONATE D-fructuronate ATOM-CHARGES (12 -1) (15 -1)
DISPLAY-COORDS-2D ((31307 -10257) (-4417 -6132) (24162 -6132) (2728 -10257) (17017 -10257) (9873 -6132) (2728 -18507) (-11562 -10257) (17017 -18507) (9873 2118) (-4417 2118) (-18706 -6132) (-11562 -18507)) ((-8325 -9403) (-22762 27537) (-16575 -9403) (-16575 21708) (-24825 6556) (-16575 -976) (-16575 14268) (-16575 6556) (-24825 -976) (-16575 -17653) (-24825 14268) (-8325 6556) (-8325 -976) (-24825 -9403) (-9430 -21778) (-23720 -21778))
STRUCTURE-BONDS ((6 4 1) (5 6 1) (4 2 1) (4 7 1 :UP) (3 5 1) (2 8 1) (1 3 1) (5 9 2) (6 10 1 :UP) (2 11 1 :DOWN) (8 12 1) (8 13 2)) ((8 6 1) (8 5 1 :UP) (7 8 1) (6 3 1) (6 9 1 :UP) (4 7 1) (3 10 1) (3 1 1 :UP) (2 4 1) (7 11 2) (8 12 1 :UP) (6 13 1 :UP) (3 14 1 :UP) (10 15 1) (10 16 2))
STRUCTURE-ATOMS (O C C C C C O C O O O O O) (H O C C H C C C O C O O H O O O)
D-GALACTURONATE D-galacturonate ATOM-CHARGES (9 -1) (11 -1)
DISPLAY-COORDS-2D ((44200 3670) (44200 -78830) (44200 -161330) (44200 -243830) (44200 -326330) (44200 -408830) (2950 75120) (-14140 -467170) (102530 -467170) (-38300 -326330) (126700 -243830) (126700 -161330) (-38300 -78830) (126700 -78830) (-38300 -161330) (-38300 -243830) (126700 -326330)) ((0 -832900) (1420500 0) (2853700 -830900) (1422900 -2479300) (712400 -1239700) (712400 -2069100) (1422900 -820400) (2142500 -1239700) (2142500 -2069100) (2000 -2479300) (2000 -3304100) (-712300 -2066900) (2855600 -2483500))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 7 2) (6 8 2) (6 9 1) (5 10 1 :UP) (4 11 1 :UP) (3 12 1 :UP) (2 13 1 :UP) (2 14 1 :UP) (3 15 1 :UP) (4 16 1 :UP) (5 17 1 :UP)) ((9 13 1 :DOWN) (10 12 2) (10 11 1) (6 10 1 :UP) (5 1 1 :UP) (7 2 1 :UP) (8 3 1 :DOWN) (4 6 1) (4 9 1) (5 6 1) (5 7 1) (7 8 1) (8 9 1))
STRUCTURE-ATOMS (C C C C C C O O O O O O O H H H H) (O O O O C C C C C C O O O)
2R-HYDROXY-FATTY-ACIDS a 2(R)-hydroxy fatty acid ATOM-CHARGES (3 -1) NIL
DISPLAY-COORDS-2D ((-2950 -1366) (3715 11198) (-11254 3497) (-2950 -11254) (11199 -1366) (3715 3497) (18343 2759) (25488 -1366)) ((-2621 -1214) (3301 6796) (-10000 3107) (-2621 -10000) (9951 -1214) (3301 3107))
STRUCTURE-BONDS ((6 2 1 :UP) (6 5 1) (4 1 2) (3 1 1) (1 6 1) (5 7 1) (7 8 1)) ((6 2 1) (6 5 1) (4 1 2) (3 1 1) (1 6 1))
STRUCTURE-ATOMS (C O O O C C C R) (C O O O R C)
Farnesoates a farnesoate DISPLAY-COORDS-2D ((-11941 -1768) (-12354 -2483) (-13179 -2483) (-13591 -1768) (-14416 -1768) (-14829 -1054) (-14416 -339) (-11941 -3197) (-15654 -1054) (-16066 -339) (-16891 -339) (-17304 375) (-18129 375) (-16891 1090) (-18541 1090) (-18129 1804) (-19366 1090)) ((-17019 890) (-16483 370) (-16497 -337) (-17243 -801) (-17256 -1618) (-16503 -2165) (-16498 -2769) (-15993 795) (-15674 -1661) (-14774 -2304) (-14109 -1801) (-14082 -889) (-14672 -331) (-13220 -427) (-14661 431) (-13942 908) (-15159 935))
STRUCTURE-BONDS ((1 2 1) (2 3 2) (3 4 1) (4 5 1) (5 6 1) (6 7 1) (2 8 1) (6 9 2) (9 10 2 :EITHER-CIS-OR-TRANS) (10 11 1) (11 12 1) (12 13 2) (12 14 1) (13 15 2 :EITHER-CIS-OR-TRANS) (15 16 1) (15 17 2)) ((1 2 1) (2 3 2) (3 4 1) (4 5 1) (5 6 1) (6 7 1) (2 8 1) (6 9 2 :EITHER-CIS-OR-TRANS) (9 10 1) (10 11 1) (11 12 1) (12 13 2 :EITHER-CIS-OR-TRANS) (12 14 1) (13 15 1) (15 16 1) (15 17 2))
2R-HYDROPEROXY-FATTY-ACIDS a 2(R)-hydroperoxy fatty acid ATOM-CHARGES (3 -1) NIL
DISPLAY-COORDS-2D ((830 -2700) (2182 0) (0 -1225) (2245 -1712) (1486 -415) (830 -1712) (1497 -1225) (2917 -1228) (3642 -1729)) ((1434 -4664) (3768 0) (0 -2116) (3877 -2956) (2566 -717) (1434 -2956) (2585 -2116))
STRUCTURE-BONDS ((6 7 1) (7 5 1 :UP) (4 7 1) (3 6 1) (2 5 1) (1 6 2) (4 8 1) (8 9 1)) ((6 7 1) (5 7 1) (4 7 1) (3 6 1) (2 5 1) (1 6 2))
STRUCTURE-ATOMS (O O O C O C C C R) (O O O R O C C)
CPD-8945 N-acetyl-β-D-galactosaminyl-(1->4)-N-acetyl-β-D-glucosaminyl-[glycoprotein] DISPLAY-COORDS-2D ((-25339 -9723) (-32484 -5598) (-32484 2652) (-25339 6777) (-18195 2652) (-18195 -5598) (2652 -24750) (-4493 -20625) (-4493 -12375) (2652 -8250) (9796 -12375) (9796 -20625) (-11050 -9723) (-40453 -7734) (-39629 6777) (-25339 15027) (-12361 8486) (16941 -8250) (-12180 -24637) (-19512 -20324) (2652 0) (16941 0) (11127 5456) (24086 4125) (-12361 16736) (-18195 22569) (-5216 20861) (-48422 -5598) (16941 -24750) (16941 -33000)) ((-25339 -9723) (-32484 -5598) (-32484 2652) (-25339 6777) (-18195 2652) (-18195 -5598) (2652 -24750) (-4493 -20625) (-4493 -12375) (2652 -8250) (9796 -12375) (9796 -20625) (-11050 -9723) (-40453 -7734) (-39629 6777) (-25339 15027) (-12361 8486) (16941 -8250) (13921 -27770) (-12462 -22760) (-19606 -18635) (2652 0) (16941 0) (12816 7145) (24086 4125) (-12361 16736) (-18195 22569) (-5216 20861) (-48422 -5598))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (7 8 1) (8 9 1) (9 10 1) (10 11 1) (11 12 1) (7 12 1) (6 13 1 :UP) (2 14 1 :UP) (3 15 1 :UP) (4 16 1 :UP) (17 5 1 :DOWN) (18 11 1 :DOWN) (8 19 1 :UP) (19 20 1) (10 21 1 :UP) (18 22 1) (22 23 1) (22 24 2) (17 25 1) (25 26 1) (25 27 2) (13 9 1 :DOWN) (14 28 1) (12 29 1 :UP) (29 30 1)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (7 8 1) (8 9 1) (9 10 1) (10 11 1) (11 12 1) (7 12 1) (6 13 1 :UP) (2 14 1 :UP) (3 15 1 :UP) (4 16 1 :UP) (17 5 1 :DOWN) (18 11 1 :DOWN) (12 19 1 :UP) (8 20 1 :UP) (20 21 1) (10 22 1 :UP) (18 23 1) (23 24 1) (23 25 2) (17 26 1) (26 27 1) (26 28 2) (13 9 1 :DOWN) (14 29 1))
STRUCTURE-ATOMS (O C C C C C O C C C C C O C O O N N C O O C C O C C O O O |General-Glycoprotein-Substrates|) (O C C C C C O C C C C C O C O O N N O C O O C C O C C O O)
LONG-CHAIN-KETONE a ketone DISPLAY-COORDS-2D ((-2394 -906) (-2394 -1731) (-3108 -494) (-1680 -494)) ((-2394 -906) (-2394 -1731) (-3219 -906) (-1569 -906))
STRUCTURE-BONDS ((1 2 2) (1 3 1) (1 4 1)) ((1 2 2) (1 4 1) (3 1 1))
CPD-8743 germacrene A DISPLAY-COORDS-2D ((33033 -7942) (26638 -2729) (33232 10595) (41255 8672) (44754 1201) (41095 -6193) (18765 -5194) (13988 1533) (18909 8154) (26727 5520) (30897 -15911) (16774 16123) (45380 15817) (53630 15817) (41255 22962)) ((-16875 -22000) (-24020 -17875) (-24020 -9625) (-16875 -5500) (-9730 -9625) (-2586 -22000) (-2586 -5500) (4559 -9625) (4559 -17875) (-9730 -17875) (-9730 -26125) (-2586 2750) (-31164 -5500) (-31164 2750) (-38309 -9625))
STRUCTURE-BONDS ((1 2 2) (10 3 1) (3 4 1) (4 5 1) (5 6 1) (6 1 1) (7 2 1) (7 8 1) (8 9 1) (9 10 2) (1 11 1) (9 12 1) (4 13 1) (13 14 2) (13 15 1)) ((13 15 1) (13 14 2) (3 13 1) (7 12 1) (10 11 1) (8 9 1) (7 8 1) (6 9 1) (5 7 2) (6 10 2) (4 5 1) (3 4 1) (2 3 1) (1 10 1) (1 2 1))
N5-Formyl-THF-Glu an N5-formyl-tetrahydrofolate AROMATIC-RINGS NIL (6 3 18 12 16 17)
ATOM-CHARGES ((8 -1) (7 -1)) ((16 1))
DISPLAY-COORDS-2D ((591 0) (24629 -33187) (91587 -58551) (90111 -16075) (74182 -19321) (14457 -25364) (103677 -51173) (102646 -23156) (29052 -26252) (54570 -23743) (54276 -38054) (62827 -23743) (62827 -38054) (90994 -44096) (94684 -37316) (42329 -17257) (35987 -5017) (14457 -738) (42329 -30675) (29052 -738) (82737 -30675) (95418 -51173) (94385 -23156) (74182 -27578) (7373 -5017) (50144 -30675) (66662 -30970) (21828 -5017) (21828 -12978) (14457 -17107) (90405 -30675) (29052 -17107) (7373 -12978) (35987 -12978)) ((-46278 -77994) (7767 -46926) (-19417 -647) (7767 15210) (34304 -647) (-19417 -31392) (61489 -46926) (7767 -77994) (-14563 -100000) (61489 -16181) (-100000 -46926) (-73139 -647) (61489 -77994) (-100000 15210) (99676 -77994) (-73139 -31392) (-46278 -46926) (-46278 15210) (34304 -31392))
STRUCTURE-BONDS ((32 34 1) (30 33 1) (29 32 1) (29 30 1) (28 29 2) (33 25 2) (24 27 1) (23 31 1) (21 31 1) (21 24 1) (20 28 1) (19 26 1) (18 28 1) (25 18 1) (17 34 1) (17 20 1) (34 16 1 :UP) (16 19 1) (31 15 1 :UP) (14 22 1) (14 15 1) (13 27 1) (27 12 2) (26 11 1) (11 13 2) (10 26 2) (12 10 1) (9 32 1) (8 23 1) (7 22 1) (6 30 2) (5 24 2) (4 23 2) (3 22 2) (2 9 2) (1 25 1)) ((19 10 1 :DOWN) (19 7 1 :UP) (18 3 :AROMATIC) (17 1 2) (17 16 :AROMATIC) (16 11 1) (16 12 :AROMATIC) (13 15 1) (12 14 1) (12 18 :AROMATIC) (8 9 2) (7 13 1) (6 17 :AROMATIC) (5 19 1) (4 5 1) (3 4 1) (3 6 :AROMATIC) (2 8 1) (2 19 1) (2 6 1))
STRUCTURE-ATOMS (N O O O O O R O C C C C C C C C C N N N N C C C C C C C C C C N N C) (O N C N C C C C O H H C N N R N C N C)
METHYLENE-THF-GLU-N a 5,10-methylene-tetrahydrofolate DISPLAY-COORDS-2D ((-446970 115810) (142480 -272140) (-570710 44370) (-214760 16610) (-71860 -148390) (-488220 187260) (-214760 -148390) (-71860 -230890) (71030 -230890) (-694460 -27080) (-366270 98660) (-398480 182560) (-143310 -24640) (285370 -107140) (-570710 -98530) (-488220 44370) (-433020 -16940) (-410 -272140) (-611960 115810) (-818210 44370) (-570710 187260) (-357650 16610) (142480 -107140) (356820 -148390) (-286200 -24640) (-410 -107140) (71030 -148390) (213930 -148390) (-143310 -107140) (-694460 115810) (-611960 -27080) (-286200 -107140) (-735710 44370) (285370 -24640)) ((-20457 -30222) (25372 -31050) (-35609 -30559) (-9681 -55814) (10355 -44533) (-13553 -15405) (-20457 -21803) (-757 -41503) (10355 -36451) (30935 -37115) (-49921 -30559) (-15742 -37462) (-12207 -27865) (-757 -55814) (36528 -64662) (-42849 -42849) (-28538 -34599) (-28538 -42849) (38869 -35279) (-35609 -22309) (-56992 -18268) (-28538 -18099) (-20120 -45207) (29030 -52671) (29159 -69073) (-13049 -48574) (18773 -48574) (28707 -44533) (-57161 -34768) (36205 -56524) (3283 -48574) (-42849 -18268) (-42849 -34599) (-9681 -41503) (-12207 -21972) (-49921 -22309) (43649 -68829))
STRUCTURE-BONDS ((1 11 1) (1 12 1 :DOWN) (2 9 2) (3 16 1) (3 19 2) (4 25 1) (5 29 1) (6 1 1) (7 29 2) (8 5 2) (9 27 1) (10 31 1) (11 22 1) (13 4 2) (15 31 2) (16 1 1) (17 16 1) (17 22 1) (18 9 1) (19 30 1) (20 33 1) (21 6 1) (21 19 1) (24 14 1) (25 22 1) (25 32 2) (26 27 1) (26 5 1) (34 14 2) (27 23 1 :DOWN) (28 14 1) (28 23 1) (29 13 1) (30 33 1) (31 3 1) (32 7 1) (33 10 2)) ((1 12 1 :UP) (1 13 1 :DOWN) (2 10 2) (3 17 1) (3 20 2) (4 26 1) (5 31 1) (6 7 1) (7 1 1) (8 31 2) (9 5 2) (10 28 1) (11 33 1) (12 23 1) (14 4 2) (16 33 2) (17 1 1) (18 17 1) (18 23 1) (19 10 1) (20 32 1) (21 36 1) (22 7 1) (22 20 1) (25 15 1) (26 23 1) (26 34 2) (27 28 1) (27 5 1) (37 15 2) (28 24 1 :UP) (29 11 1) (30 15 1) (30 24 1) (31 14 1) (32 36 1) (33 3 1) (34 8 1) (35 7 1) (36 11 2))
STRUCTURE-ATOMS (C O C C C C C O C N C H C C O N C O C N N N C R C N C C C N C C C O) (C O C C C H C C O C N C H C C O N C O C N N N C O C N C H C C N C C H C R1)
Nucleosides a nucleoside DISPLAY-COORDS-2D ((0 -1155) (2962 0) (1168 0) (3706 -2066) (613 -1707) (2065 -1937) (2733 -1452) (2478 -668) (1652 -668) (1398 -1452)) ((0 -1960) (5027 0) (1982 0) (5969 -2897) (1040 -2897) (3504 -3287) (4637 -2464) (4204 -1133) (2804 -1133) (2372 -2464))
STRUCTURE-ATOMS (O O O |Bases| C O C C C C) (O O O R C O C C C C)
Nucleotides a nucleotide ATOM-CHARGES ((9 -1) (4 -1)) NIL
DISPLAY-COORDS-2D ((2467900 -1986700) (6247200 0) (4449500 -1300) (2465400 -340900) (6936200 -2577700) (3904500 -1710000) (3290700 -1161900) (5347000 -1931800) (1644100 -1163700) (5763000 -665200) (4935600 -665200) (6017400 -1452600) (4685900 -1452600) (2467000 -1163700)) ((2472900 -1990700) (6260000 0) (4458700 -1300) (2470400 -341600) (6950400 -2583000) (3912400 -1713500) (3297400 -1164300) (5358000 -1935700) (1647400 -1166100) (5774700 -666600) (4945700 -666600) (6029700 -1455600) (4695500 -1455600) (2472000 -1166100))
STRUCTURE-ATOMS (O R O O |Bases| C O O O C C C C P) (O O O O R C O O O C C C C P)
ADP-SUGARS an ADP-sugar ATOM-CHARGES ((27 -1) (23 -1)) NIL
STRUCTURE-ATOMS (O C C C C C N C N C C N N C N O O C O P O O O P O O O R1) (O C C C C C N C N C C N N C N O O C O P O O O P O O O R)
NDP-glucoses an NDP-glucose ATOM-CHARGES ((6 -1) (5 -1)) NIL
UDP-GLUCOSE UDP-D-glucose ATOM-CHARGES ((23 -1) (20 -1)) ((14 -1) (7 -1))
DISPLAY-COORDS-2D ((2395 1019) (2474 993) (2330 971) (2371 1100) (2537 1049) (2491 912) (2263 1021) (2288 1100) (2419 1167) (2615 1022) (2520 1129) (2570 886) (2184 995) (2239 1166) (2632 941) (2125 1054) (2710 915) (2043 1054) (1961 1054) (2043 1136) (2043 970) (1878 1053) (1877 1135) (1877 970) (1795 1053) (1724 1095) (1724 1177) (1795 1218) (1580 1177) (1509 1218) (1652 1218) (1580 1095) (1509 1053) (1437 1095) (1652 1053) (1652 1301)) ((-35313 -16063) (-42457 -11938) (-42457 -3687) (-35313 438) (-28168 -3687) (-28168 -11938) (-9719 3327) (-13927 -3770) (-21023 438) (-18134 -10866) (-752 1982) (1188 -6037) (-6830 -7977) (3129 -14055) (-35313 -24313) (-28168 -28438) (-35313 8688) (-49602 438) (-49602 -16063) (9207 -4096) (23093 -9126) (27146 -1941) (35233 -3576) (36176 -11771) (14897 -10070) (28674 -15202) (41308 2005) (23716 5562) (48082 -29312) (41829 -23931) (51149 -13099) (55869 -26587) (43362 -15825) (57402 -18481) (52682 -4993) (62123 -31968))
STRUCTURE-BONDS ((1 2 1 :UP) (1 3 1) (1 4 1) (2 5 1) (2 6 1) (3 7 1) (4 8 1) (4 9 1 :DOWN) (5 10 1) (5 11 2) (6 12 2) (7 13 1 :UP) (7 8 1) (8 14 1 :DOWN) (10 15 1) (12 15 1) (13 16 1) (15 17 2) (16 18 1) (18 19 1) (18 20 1) (18 21 2) (19 22 1) (22 23 1) (22 25 1) (22 24 2) (26 25 1) (27 26 1) (35 26 1) (35 32 1) (32 29 1) (29 31 1) (31 27 1) (27 28 1 :DOWN) (29 30 1 :DOWN) (31 36 1 :UP) (32 33 1 :UP) (33 34 1)) ((32 36 2) (31 35 2) (34 32 1) (31 34 1) (33 31 1) (30 33 1) (32 29 1) (29 30 2) (23 27 1 :DOWN) (22 28 1 :DOWN) (24 33 1 :UP) (21 25 1 :UP) (23 24 1) (22 23 1) (21 22 1) (26 24 1) (26 21 1) (20 25 1) (15 16 1) (12 14 1) (12 20 1) (12 13 1) (11 12 2) (8 10 2) (8 13 1) (8 9 1) (7 8 1) (5 9 1) (4 17 1 :DOWN) (2 19 1 :DOWN) (3 18 1 :UP) (1 15 1 :UP) (5 6 1) (4 5 1) (3 4 1) (2 3 1) (1 6 1) (1 2 1))
STRUCTURE-ATOMS (C N O C C C C C O N O C C O C O O P O O O P O O O C C O C O C C C O O O) (C C C C C O O P O O O P O O C O O O O O C C C C C O O O C C C C N N O O)
UDP-L-ARABINOSE UDP-L-arabinose STRUCTURE-BONDS ((30 32 1 :UP) (27 30 1) (26 29 1) (25 28 1) (25 27 1) (24 26 1) (23 24 1) (22 32 1) (31 22 1) (21 31 1) (20 34 1) (20 33 1) (19 34 1) (29 19 1) (18 30 1) (18 28 1) (17 33 1) (16 29 1) (28 15 1 :UP) (15 17 1) (14 23 1) (14 16 1) (32 13 1) (12 21 1) (13 12 2) (11 34 1) (10 33 1) (27 9 1 :DOWN) (26 8 1 :DOWN) (25 7 1 :DOWN) (24 6 1 :UP) (23 5 1 :UP) (4 34 2) (3 33 2) (2 22 2) (1 21 2)) ((30 32 1 :UP) (27 30 1) (26 29 1) (25 28 1) (25 27 1) (24 26 1) (23 24 1) (22 32 1) (31 22 1) (21 31 1) (20 34 1) (20 33 1) (19 34 1) (29 19 1 :DOWN) (18 30 1) (18 28 1) (17 33 1) (16 29 1) (28 15 1 :UP) (15 17 1) (14 23 1) (14 16 1) (32 13 1) (12 21 1) (13 12 2) (11 34 1) (10 33 1) (27 9 1 :DOWN) (26 8 1 :DOWN) (25 7 1 :DOWN) (24 6 1 :UP) (23 5 1 :UP) (4 34 2) (3 33 2) (2 22 2) (1 21 2))
Ribonucleosides a ribonucleoside DISPLAY-COORDS-2D ((0 -1216) (3013 0) (1218 0) (3573 -2310) (663 -1708) (2116 -1938) (2783 -1452) (2528 -668) (1703 -668) (1448 -1452)) ((0 -2063) (5112 0) (2066 0) (6053 -2897) (1125 -2897) (3589 -3287) (4722 -2464) (4289 -1133) (2889 -1133) (2456 -2464))
STRUCTURE-ATOMS (O O O |Bases| C O C C C C) (O O O R C O C C C C)
Deoxy-Ribonucleosides a deoxynucleoside DISPLAY-COORDS-2D ((0 -1409) (1324 0) (3832 -2241) (770 -1708) (2635 -668) (2222 -1938) (2889 -1452) (1810 -668) (1554 -1452)) ((0 -2391) (2247 0) (6234 -2897) (1306 -2897) (4470 -1133) (3770 -3287) (4902 -2464) (3070 -1133) (2637 -2464))
STRUCTURE-ATOMS (O O |Bases| C C O C C C) (O O R C C O C C C)
Nucleoside-Monophosphates a nucleoside monophosphate ATOM-CHARGES ((5 -1) (4 -1)) NIL
DISPLAY-COORDS-2D ((823800 -1986700) (4603100 0) (2805600 -1300) (0 -1163800) (821300 -340900) (5292100 -2577700) (2260300 -1710000) (1646600 -1161900) (3702900 -1931700) (4118900 -665300) (3291500 -665300) (4373300 -1452700) (3041800 -1452700) (822900 -1163800)) ((1350500 -3256800) (7546000 0) (4599200 -2100) (0 -1907800) (1346400 -558800) (8675400 -4225700) (3705400 -2803200) (2699300 -1904800) (6070300 -3166700) (6752200 -1090600) (5395800 -1090600) (7169300 -2381400) (4986500 -2381400) (1349000 -1907800))
Nucleoside-Triphosphates a nucleoside triphosphate ATOM-CHARGES ((9 -1) (8 -1) (7 -1) (6 -1)) NIL
DISPLAY-COORDS-2D ((855300 -2016300) (4149900 -1986700) (2503200 -1986700) (7929400 0) (6131700 -1300) (826700 -334300) (0 -1169700) (4147400 -340900) (2503200 -340900) (8618300 -2577800) (5586500 -1710000) (4972700 -1162000) (7029200 -1931700) (1682000 -1161100) (3326100 -1163800) (7445200 -665300) (6617700 -665300) (7699500 -1452700) (6368000 -1452700) (841100 -1175300) (4149000 -1163800) (2503200 -1163800)) ((1411900 -3328400) (6850400 -3279500) (4132100 -3279500) (13089400 0) (10121900 -2200) (1364700 -551900) (0 -1930900) (6846300 -562700) (4132100 -562700) (14226600 -4255200) (9221800 -2822800) (8208700 -1918100) (11603300 -3188800) (2776600 -1916600) (5490500 -1921100) (12290000 -1098200) (10924100 -1098200) (12709900 -2398000) (10511900 -2398000) (1388400 -1940100) (6848900 -1921100) (4132100 -1921100))
Nucleoside-Diphosphates a nucleoside diphosphate ATOM-CHARGES ((7 -1) (6 -1) (5 -1)) NIL
DISPLAY-COORDS-2D ((822800 -1990700) (2472900 -1990700) (6260000 0) (4458700 -1300) (0 -1163400) (822800 -341600) (2470400 -341600) (6950400 -2583000) (3912400 -1713500) (3297400 -1164300) (5358000 -1935700) (1647400 -1166100) (5774700 -666600) (4945700 -666600) (6029700 -1455600) (4695500 -1455600) (822800 -1166100) (2472000 -1166100)) ((1355500 -3279500) (4073800 -3279500) (10312700 0) (7345200 -2200) (0 -1916600) (1355500 -562700) (4069700 -562700) (11450000 -4255200) (6445200 -2822800) (5432100 -1918100) (8826700 -3188800) (2713900 -1921100) (9513300 -1098200) (8147500 -1098200) (9933300 -2398000) (7735300 -2398000) (1355500 -1921100) (4072300 -1921100))
3-Prime-Ribonucleoside-Monophosphates a nucleoside 3'-phosphate ATOM-CHARGES ((12 -1) (11 -1)) NIL
DISPLAY-COORDS-2D ((0 -333090) (307570 -252380) (17150 -252380) (162360 -275390) (252100 -81690) (121110 -148430) (229100 -226890) (95620 -226890) (203610 -148430) (72620 -81690) (-9880 -164190) (-92380 -81690) (-9880 -81690) (-9880 810)) ((0 -333080) (307560 -252380) (17150 -252380) (162360 -275380) (252100 -81690) (121110 -148430) (229100 -226890) (95620 -226890) (203610 -148430) (72620 -81690) (-9880 -164190) (-92380 -81690) (-9880 -81690) (-9880 810))
Cyclic-2-3-Ribonucleoside-Monophosphates a nucleoside 2',3'-cyclic phosphate ATOM-CHARGES (3 -1) NIL
Peptidoglycans a peptidoglycan SUPERATOMS TRANS-CIS-UNDECAPRENYL-GROUP undecaprenyl
DISPLAY-COORDS-2D ((-5980 -15375) (-5980 -23625) (-13125 -3000) (-13125 -11250) (1164 -11250) (1419 5248) (8499 1013) (8372 -7236) (15452 -11471) (15325 -19720) (1546 13497) (8754 17511) (-5534 17732) (22760 -7217) (29573 5344) (29793 -2904) (37045 -6837) (37744 -14145) (44077 -2523) (58367 -2523) (58367 -10773) (51222 9852) (51222 1602) (65511 1602) (79801 1602) (79801 -6648) (86945 5727) (72656 13977) (72656 5727) (-20270 -15375) (-27415 -11250) (-34559 -15375) (-27414 -3000) (-41704 -11250) (-34560 -23625) (-34560 -31875) (-41704 -44250) (-41704 -36000) (-27415 -36000) (-27415 -44250) (-48849 -48375) (-13125 -36000) (-13126 -44250) (-5981 -31875) (-20270 -31875) (-34560 -48375) (-55994 -44250) (-20270 -48375) (-20270 -64875) (-20270 -73125) (-20270 -56625) (-28520 -73125) (-12020 -73125) (-12020 -56625) (-28520 -56625) (-20270 -81687) (-48849 -31875) (-59162 -31125) (-71517 -38303) (-75661 -31169) (-71556 -24013) (-63306 -23991) (-75623 -45458) (-59200 -16835) (-63267 -38281) (-83873 -45480) (-83911 -31191) (-75700 -16879) (-63344 -9702) (-71594 -9724) (-59238 -2546) (-13144 -85845) (-5883 -81764) (1359 -85845) (-5883 -73623) (8690 -81724) (15932 -85805) (23143 -81724) (30415 -85805) (23143 -73573) (37676 -81674) (44917 -85785) (52129 -81674) (59410 -85785) (52129 -73563) (66712 -81664) (73873 -85805) (81064 -81744) (81064 -73593) (88336 -93957) (88336 -85805) (94367 -97868) (101598 -93817) (101598 -85655) (108830 -106019) (108830 -97868) (114911 -109940) (122132 -105879) (122132 -97718) (129364 -118092) (129364 -109940) (135445 -122052) (142626 -117952) (142626 -109840) (149898 -130154) (149898 -122052) (155969 -134115) (163170 -130014) (163170 -121902) (170392 -142266) (170392 -134115) (176473 -146187) (183654 -142126) (183654 -133975) (190926 -154329) (190926 -146187) (197007 -158249) (204188 -154189) (204188 -146037) (211470 -166411) (211470 -158249) (217501 -170372) (224732 -166271) (224732 -158139) (231954 -178473) (231954 -170372)) ((-5980 -15375) (-5980 -23625) (-13125 -3000) (-13125 -11250) (1164 -11250) (1419 5248) (8499 1013) (8372 -7236) (15452 -11471) (15325 -19720) (1546 13497) (8754 17511) (-5534 17732) (22760 -7217) (29573 5344) (29793 -2904) (37045 -6837) (37744 -14145) (44077 -2523) (58367 -2523) (58367 -10773) (51222 9852) (51222 1602) (65511 1602) (79801 1602) (79801 -6648) (86945 5727) (72656 13977) (72656 5727) (-20270 -15375) (-27415 -11250) (-34559 -15375) (-27414 -3000) (-41704 -11250) (-34560 -23625) (-34560 -31875) (-41704 -44250) (-41704 -36000) (-27415 -36000) (-27415 -44250) (-48849 -48375) (-13125 -36000) (-13126 -44250) (-5981 -31875) (-20270 -31875) (-34560 -48375) (-55994 -44250) (-20270 -48375) (-20270 -64875) (-20270 -73125) (-20270 -56625) (-28520 -73125) (-12020 -73125) (-12020 -56625) (-28520 -56625) (157881 -185616) (165044 -181522) (172170 -185678) (179333 -181586) (172135 -193929) (186460 -185741) (193622 -181647) (200749 -185803) (207912 -181710) (200714 -194053) (215038 -185866) (222201 -181772) (229328 -185928) (236490 -181833) (229292 -194179) (36701 -123195) (36664 -131445) (29575 -119037) (29612 -110788) (22486 -106630) (15323 -110723) (15286 -118973) (8197 -106566) (8234 -98316) (1108 -94159) (-6055 -98252) (-6092 -106502) (-13181 -94095) (-13144 -85845) (-20270 -81687) (43864 -119102) (50990 -123259) (58079 -135666) (58042 -143916) (50953 -131509) (65242 -131573) (72368 -135730) (79457 -148138) (79420 -156387) (72331 -143980) (86621 -144045) (93747 -148202) (100835 -160609) (100798 -168859) (93709 -156452) (107999 -156516) (115125 -160673) (122214 -173080) (122176 -181330) (115088 -168923) (129377 -168988) (136503 -173145) (143592 -185552) (143555 -193802) (136466 -181395) (150755 -181459) (-48849 -31875) (-59162 -31125) (-71517 -38303) (-75661 -31169) (-71556 -24013) (-63306 -23991) (-75623 -45458) (-59200 -16835) (-63267 -38281) (-83873 -45480) (-83911 -31191) (-75700 -16879) (-63344 -9702) (-71594 -9724) (-59238 -2546))
STRUCTURE-BONDS ((69 70 1) (69 71 2) (64 69 1) (62 64 1 :DOWN) (61 68 1 :UP) (60 67 1 :DOWN) (63 66 1) (59 63 1 :UP) (61 62 1) (60 61 1) (59 60 1) (65 59 1) (65 58 1) (62 58 1) (58 57 1 :DOWN) (72 56 1) (51 54 2) (51 55 1) (50 53 2) (50 52 1) (50 56 1) (49 50 1) (51 49 1) (48 51 1) (42 43 1) (42 44 2) (45 42 1) (39 45 1 :DOWN) (40 48 1 :DOWN) (41 47 1) (37 41 1 :UP) (38 57 1 :DOWN) (39 40 1) (37 38 1) (46 40 1) (46 37 1) (36 39 1) (38 36 1) (36 35 1 :UP) (32 34 1 :UP) (32 35 1) (31 33 2) (31 32 1) (30 31 1) (29 28 1) (25 26 2) (25 27 1) (29 25 1) (29 24 1 :UP) (23 22 1) (20 21 2) (20 24 1) (23 20 1) (23 19 1 :UP) (17 19 1) (17 18 2) (16 17 1) (16 15 1) (16 14 1 :DOWN) (11 12 2) (11 13 1) (9 14 1) (9 10 2) (8 9 1) (7 8 1) (6 7 1) (11 6 1) (8 5 1 :UP) (4 3 1) (4 30 1 :DOWN) (1 2 2) (1 5 1) (4 1 1) (86 87 1) (76 77 1) (88 89 1) (77 78 1) (103 102 1) (105 106 1) (106 103 2) (105 107 1) (78 79 2) (108 109 1) (78 80 1) (79 81 1) (88 87 1) (90 91 1) (108 107 1) (110 111 1) (111 108 2) (110 112 1) (91 88 2) (113 114 1) (90 92 1) (74 76 1) (93 94 1) (113 112 1) (115 116 1) (116 113 2) (115 117 1) (118 119 1) (72 73 1) (73 74 2) (93 92 1) (95 96 1) (118 117 1) (120 121 1) (121 118 2) (120 122 1) (96 93 2) (123 124 1) (95 97 1) (81 82 1) (98 99 1) (82 83 1) (123 122 1) (125 126 1) (126 123 2) (83 84 2) (83 85 1) (84 86 1) (98 97 1) (100 101 1) (101 98 2) (100 102 1) (73 75 1) (103 104 1)) ((124 125 1) (124 126 2) (119 124 1) (117 119 1 :DOWN) (116 123 1 :UP) (115 122 1 :DOWN) (118 121 1) (114 118 1 :UP) (116 117 1) (115 116 1) (114 115 1) (120 114 1) (120 113 1) (117 113 1) (113 112 1 :DOWN) (111 56 1) (108 109 1) (108 110 2) (111 108 1) (110 107 1) (106 107 1) (103 104 1) (103 105 2) (106 103 1) (105 102 1) (101 102 1) (98 99 1) (98 100 2) (101 98 1) (100 97 1) (96 97 1) (93 94 1) (93 95 2) (96 93 1) (95 92 1) (91 92 1) (88 89 1) (88 90 2) (91 88 1) (90 87 1) (86 87 1) (84 85 1) (83 84 1) (81 82 1) (81 83 2) (80 81 1) (79 80 1) (78 79 1) (76 77 1) (76 78 2) (75 76 1) (74 75 1) (73 74 1) (71 72 1) (71 73 2) (86 71 1) (68 70 1) (68 69 1) (67 68 2) (66 67 1) (64 66 1) (63 65 1) (63 64 1) (62 63 2) (61 62 1) (59 61 1) (58 60 1) (58 59 1) (57 58 2) (56 57 1) (51 54 2) (51 55 1) (50 53 2) (50 52 1) (50 85 1) (49 50 1) (51 49 1) (48 51 1) (42 43 1) (42 44 2) (45 42 1) (39 45 1 :DOWN) (40 48 1 :DOWN) (41 47 1) (37 41 1 :UP) (38 112 1 :DOWN) (39 40 1) (37 38 1) (46 40 1) (46 37 1) (36 39 1) (38 36 1) (36 35 1 :UP) (32 34 1 :UP) (32 35 1) (31 33 2) (31 32 1) (30 31 1) (29 28 1) (25 26 2) (25 27 1) (29 25 1) (29 24 1 :UP) (23 22 1) (20 21 2) (20 24 1) (23 20 1) (23 19 1 :UP) (17 19 1) (17 18 2) (16 17 1) (16 15 1) (16 14 1 :DOWN) (11 12 2) (11 13 1) (9 14 1) (9 10 2) (8 9 1) (7 8 1) (6 7 1) (11 6 1) (8 5 1 :UP) (4 3 1) (4 30 1 :DOWN) (1 2 2) (1 5 1) (4 1 1))
STRUCTURE-ATOMS (C O C C N C C C C O C O O N R C C O N C O C C N C O O C C N C C O C O C C C C C C C C O N O O O O P P O O O O O O C C C C C C N O O O O C C O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C) (C O C C N C C C C O C O O N R C C O N C O C C N C O O C C N C C O C O C C C C C C C C O N O O O O P P O O O O C C C C C C C C C C C C C C C C C C C C C C C C C C C C C O C C C C C C C C C C C C C C C C C C C C C C C C C C O C C C C C C N O O O O C C O)
DEOXY-RIBOSE-1P deoxyribose-1-phosphate ATOM-CHARGES ((5 -1) (4 -1)) ((8 -1) (2 -1))
DISPLAY-COORDS-2D ((39007000 -8770000) (-2000 -25140000) (7258000 0) (47257000 -16990000) (38897000 -25270000) (1718000 -17070000) (20358000 -6670000) (16238000 -19370000) (30757000 -17070000) (12108001 -6670000) (22908000 -14520000) (9558000 -14520000) (39007000 -17020000)) ((14803 -7195) (22488 -14878) (-22563 -3202) (14803 -14878) (-14878 -8851) (-4483 -2902) (5988 -8851) (14803 -22563) (-10886 -16762) (5988 -14878) (-14878 -3202) (-10886 -21358) (1997 -16762))
STRUCTURE-BONDS ((10 12 1) (9 13 1) (11 9 1) (8 12 1) (8 11 1) (7 11 1) (7 10 1) (12 6 1 :UP) (5 13 1) (4 13 1) (10 3 1 :DOWN) (2 6 1) (1 13 2)) ((12 9 1) (11 5 1) (10 4 1) (9 13 1) (8 4 1) (7 13 1) (7 10 1) (6 7 1) (5 9 1) (5 6 1) (3 11 1) (2 4 1) (1 4 2))
STRUCTURE-ATOMS (O O O O O C C O O C C C P) (O O O P C O C O C O C O C)
Alpha-D-aldose-1-phosphates an α-D-aldose-1-phosphate ATOM-CHARGES ((16 -1) (14 -1)) NIL
DISPLAY-COORDS-2D ((-12080 -21803) (-19224 -17678) (-19224 -9428) (-12080 -5303) (-4936 -9428) (-4936 -17678) (-26369 -5303) (-12080 2947) (3033 -7293) (898 -23511) (-26369 -21803) (-32202 -15970) (8043 -19386) (12168 -26531) (15187 -15262) (3918 -12243)) ((-12080 -21804) (-19225 -17679) (-19225 -9428) (-12080 -5303) (-4936 -9428) (-4936 -17679) (-26370 -5303) (-12080 2947) (3033 -7293) (898 -23512) (-26370 -21804) (-32203 -15970) (8043 -19387) (12168 -26532) (15187 -15262) (3918 -12243))
DEOXY-RIBOSE-5P 2-deoxy-D-ribose-5-phosphate ATOM-CHARGES ((5 -1) (1 -1)) ((12 -1) (1 -1))
DISPLAY-COORDS-2D ((-8268 -10845) (-8268 -25101) (-8268 -18093) (-2278 -18093) (-15217 -18093) (8992 -6823) (15667 -11673) (22341 -6823) (19792 1023) (11542 1023) (30310 -8958) (5708 6856) (1847 -10948)) ((-14712 -11688) (344 -3369) (-14712 4675) (11481 -3025) (-14712 -3369) (4606 -22688) (22619 -9350) (-7837 -3369) (22619 -15813) (4606 -17806) (344 -9350) (-22688 -3369) (18356 -17806))
STRUCTURE-BONDS ((5 3 1) (3 4 1) (2 3 2) (1 3 1) (10 6 1) (7 6 1) (7 8 1) (8 9 1) (9 10 1) (8 11 1) (10 12 1 :DOWN) (6 13 1 :UP) (13 4 1)) ((12 5 1) (11 4 1) (11 10 1) (10 13 1) (8 2 1) (7 9 1) (7 13 1) (6 10 1) (5 8 1) (4 7 1) (3 5 2) (2 11 1) (1 5 1))
STRUCTURE-ATOMS (O O P O O C O C C C O O C) (O C O O P O C O O C C O C)
Beta-D-Glucuronides a β-D-glucuronoside ATOM-CHARGES (2 -1) NIL
DISPLAY-COORDS-2D ((0 -2062) (714 -3300) (2143 0) (3572 -825) (714 -825) (4287 -2062) (3572 -2475) (2143 -2475) (714 -2475) (2143 -825) (2858 -1238) (1429 -1238) (2858 -2062) (1429 -2062)) ((0 -3500) (1212 -5600) (3637 0) (6062 -1400) (1212 -1400) (7275 -3500) (6062 -4200) (3637 -4200) (1212 -4200) (3637 -1400) (4850 -2100) (2425 -2100) (4850 -3500) (2425 -3500))
N-ACETYL-D-GALACTOSALAMINYL-R an N-acetyl-β-D-galactosalaminyl-[glycan] DISPLAY-COORDS-2D ((4283 0) (4993 -1236) (0 -2473) (710 -1244) (2138 -419) (4667 -2889) (710 -2893) (3567 -1244) (3567 -2893) (2138 -2893) (4278 -825) (1425 -1656) (2138 -1244) (1425 -2481) (2853 -2481) (2853 -1656)) ((7270 0) (8474 -2098) (0 -4199) (1205 -2111) (3630 -711) (7224 -4141) (1205 -4911) (6055 -2111) (6055 -4911) (3630 -4911) (7261 -1400) (2418 -2811) (3630 -2111) (2418 -4211) (4843 -4211) (4843 -2811))
STRUCTURE-ATOMS (C O O O O |Glycans| C N O O C C C C C C) (C O O O O R C N O O C C C C C C)
D-Glucose D-glucose DISPLAY-COORDS-2D ((0 -2475) (3683 -2475) (3683 -825) (2254 0) (825 -825) (825 -2475) (2254 -2475) (2968 -2062) (2968 -1238) (2254 -825) (1539 -1238) (1539 -2062)) ((0.0d0 -2.475d0) (3.683d0 -2.475d0) (3.683d0 -0.825d0) (2.254d0 0.0d0) (0.825d0 -0.825d0) (0.825d0 -2.475d0) (2.254d0 -2.475d0) (2.9682d0 -2.0625d0) (2.9682d0 -1.2375d0) (2.254d0 -0.825d0) (1.5392d0 -1.2375d0) (1.5392d0 -2.0625d0))
STRUCTURE-BONDS ((1 6 1) (8 2 1) (9 3 1 :DOWN) (10 4 1 :UP) (11 5 1 :DOWN) (12 6 1 :UP) (7 8 1) (7 12 1) (8 9 1) (9 10 1) (10 11 1) (11 12 1)) ((1 6 1) (8 2 1) (9 3 1 :DOWN) (10 4 1 :UP) (11 5 1 :DOWN) (6 12 1 :UP) (7 8 1) (7 12 1) (8 9 1) (9 10 1) (10 11 1) (11 12 1))
Beta-D-Fructofuranosides a β-D-fructofuranoside DISPLAY-COORDS-2D ((533740 45280) (455210 70520) (600660 -3000) (558980 123830) (373680 57910) (667240 45710) (641500 124110) (510280 190410) (733300 13110) (689770 190990) (1026100 2800) (959360 51300) (1092850 51300) (1164290 10050) (1067350 129760) (984850 129760) (1125700 188090) (943600 201200) (838300 77210) (918110 -20150) (918110 -102660) (485490 -21610) (485490 -104120) (1265360 76290) (1345050 54940)) ((0 -25139) (36887 -11549) (7262 0) (25210 0) (25459 -22367) (1715 -17070) (30756 -17070) (16236 -19370) (12111 -6674) (9562 -14520) (20361 -6674) (22910 -14520))
STRUCTURE-BONDS ((22 23 1) (20 21 1) (9 19 1) (16 18 1 :DOWN) (16 15 1) (15 17 1 :UP) (15 13 1) (13 14 1 :DOWN) (12 16 1) (12 19 1 :DOWN) (12 20 1 :UP) (11 12 1) (11 13 1) (1 3 1) (6 7 1) (7 10 1 :UP) (6 9 1 :DOWN) (4 8 1 :DOWN) (4 7 1) (3 6 1) (5 2 1 :DOWN) (1 22 1 :UP) (1 4 1) (1 2 1 :DOWN) (14 24 1) (25 24 1 :DOWN)) ((11 12 1) (9 11 1) (9 10 1) (8 12 1) (8 10 1) (12 7 1 :DOWN) (10 6 1 :UP) (12 5 1 :UP) (11 4 1 :UP) (9 3 1 :DOWN) (2 7 1) (1 6 1))
STRUCTURE-ATOMS (C O O C R2 C C O C O O C C C C C O O O C O C O O R1) (O O O O O C C O C C C C)
PECTATE a pectate DISPLAY-COORDS-2D ((4950 -1650) (4235 412) (4950 1650) (6378 -1650) (3521 3299) (6378 -825) (6378 825) (3521 825) (4950 -3299) (6378 -4124) (2092 1650) (7807 -3299) (2807 -412) (3521 -1650) (4950 4124) (8521 -2062) (5665 2887) (7807 -825) (4950 -825) (5665 -412) (5665 412) (4950 825) (4235 -412) (4235 2062) (5665 -2062) (3521 1650) (5665 -2887) (6378 -3299) (4235 2887) (2807 2062) (7092 -2887) (7092 -2062) (2807 2887) (3521 -825) (4950 3299) (7807 -1650) (2093 3300)) ((4950 -1650) (4235 412) (4950 1650) (6378 -1650) (3521 3299) (6378 -825) (6378 825) (3521 825) (4950 -3299) (6378 -4124) (2092 1650) (7807 -3299) (2092 3299) (2807 -412) (3521 -1650) (4950 4124) (8521 -2062) (5665 2887) (7807 -825) (4950 -825) (5665 -412) (5665 412) (4950 825) (4235 -412) (4235 2062) (5665 -2062) (3521 1650) (5665 -2887) (6378 -3299) (4235 2887) (2807 2062) (7092 -2887) (7092 -2062) (2807 2887) (3521 -825) (4950 3299) (7807 -1650))
STRUCTURE-BONDS ((19 1 1 :DOWN) (1 25 1) (2 22 1) (2 23 1) (3 22 1) (24 3 1 :UP) (4 25 1) (4 32 1) (5 29 1) (5 33 1) (20 6 1 :DOWN) (21 7 1 :UP) (26 8 1 :UP) (27 9 1 :DOWN) (28 10 1 :UP) (30 11 1 :DOWN) (31 12 1 :UP) (13 34 1) (14 34 2) (15 35 1) (16 36 1) (17 35 2) (18 36 2) (19 20 1) (19 23 1) (20 21 1) (21 22 1) (23 34 1 :DOWN) (24 26 1) (24 29 1) (25 27 1) (26 30 1) (27 28 1) (28 31 1) (29 35 1 :UP) (30 33 1) (31 32 1) (32 36 1 :UP) (33 37 1)) ((20 1 1 :DOWN) (1 26 1) (2 23 1) (2 24 1) (3 23 1) (25 3 1 :UP) (4 26 1) (4 33 1) (5 30 1) (5 34 1) (21 6 1 :DOWN) (22 7 1 :UP) (27 8 1 :UP) (28 9 1 :DOWN) (29 10 1 :UP) (31 11 1 :DOWN) (32 12 1 :UP) (34 13 1 :DOWN) (14 35 1) (15 35 2) (16 36 1) (17 37 1) (18 36 2) (19 37 2) (20 21 1) (20 24 1) (21 22 1) (22 23 1) (24 35 1 :DOWN) (25 27 1) (25 30 1) (26 28 1) (27 31 1) (28 29 1) (29 32 1) (30 36 1 :UP) (31 34 1) (32 33 1) (33 37 1 :UP))
STRUCTURE-ATOMS (O O O O O O O O O O O O O O O O O O C C C C C C C C C C C C C C C C C C R) (O O O O O O O O O O O O O O O O O O O C C C C C C C C C C C C C C C C C C)
CPD-11244 a pectate oligosaccharide with 4-(4-deoxy-α-D-galact-4-enuronosyl)-D-galacturonate end ATOM-CHARGES (46 -1) (47 -1)
DISPLAY-COORDS-2D ((4950 -1650) (4235 412) (4950 1650) (6378 -1650) (3521 3299) (6378 -825) (6378 825) (3521 825) (4950 -3299) (6378 -4124) (2092 1650) (7807 -3299) (2807 -412) (3521 -1650) (4950 4124) (8521 -2062) (5665 2887) (7807 -825) (4950 -825) (5665 -412) (5665 412) (4950 825) (4235 -412) (4235 2062) (5665 -2062) (3521 1650) (5665 -2887) (6378 -3299) (4235 2887) (2807 2062) (7092 -2887) (7092 -2062) (2807 2887) (3521 -825) (4950 3299) (7807 -1650) (7807 -4124) (7807 -5774) (7092 -5362) (7092 -4536) (8522 -4536) (8522 -5362) (9236 -5774) (9236 -4124) (6378 -5774) (6378 -6599) (5664 -5361) (2093 3300)) ((4950 -1650) (4235 412) (4950 1650) (6378 -1650) (3521 3299) (6378 -825) (6378 825) (3521 825) (4950 -3299) (6378 -4124) (2092 1650) (7807 -3299) (2092 3299) (2807 -412) (3521 -1650) (4950 4124) (8521 -2062) (5665 2887) (7807 -825) (4950 -825) (5665 -412) (5665 412) (4950 825) (4235 -412) (4235 2062) (5665 -2062) (3521 1650) (5665 -2887) (6378 -3299) (4235 2887) (2807 2062) (7092 -2887) (7092 -2062) (2807 2887) (3521 -825) (4950 3299) (7807 -1650) (7807 -4124) (7807 -5774) (7092 -5362) (7092 -4536) (8522 -4536) (8522 -5362) (9236 -5774) (9236 -4124) (6378 -5774) (6378 -6599))
STRUCTURE-BONDS ((19 1 1 :DOWN) (1 25 1) (2 22 1) (2 23 1) (3 22 1) (24 3 1 :UP) (4 25 1) (4 32 1) (5 29 1) (5 33 1) (20 6 1 :DOWN) (21 7 1 :UP) (26 8 1 :UP) (27 9 1 :DOWN) (28 10 1 :UP) (30 11 1 :DOWN) (31 12 1 :UP) (13 34 1) (14 34 2) (15 35 1) (16 36 1) (17 35 2) (18 36 2) (19 20 1) (19 23 1) (20 21 1) (21 22 1) (23 34 1 :DOWN) (24 26 1) (24 29 1) (25 27 1) (26 30 1) (27 28 1) (28 31 1) (29 35 1 :UP) (30 33 1) (31 32 1) (32 36 1 :UP) (12 37 1) (40 37 1) (37 41 1) (38 39 2) (39 40 1) (41 42 1) (38 42 1) (42 43 1 :DOWN) (41 44 1 :UP) (39 45 1) (45 46 1) (45 47 2) (33 48 1)) ((20 1 1 :DOWN) (1 26 1) (2 23 1) (2 24 1) (3 23 1) (25 3 1 :UP) (4 26 1) (4 33 1) (5 30 1) (5 34 1) (21 6 1 :DOWN) (22 7 1 :UP) (27 8 1 :UP) (28 9 1 :DOWN) (29 10 1 :UP) (31 11 1 :DOWN) (32 12 1 :UP) (34 13 1 :DOWN) (14 35 1) (15 35 2) (16 36 1) (17 37 1) (18 36 2) (19 37 2) (20 21 1) (20 24 1) (21 22 1) (22 23 1) (24 35 1 :DOWN) (25 27 1) (25 30 1) (26 28 1) (27 31 1) (28 29 1) (29 32 1) (30 36 1 :UP) (31 34 1) (32 33 1) (33 37 1 :UP) (12 38 1) (41 38 1) (38 42 1) (39 40 2) (40 41 1) (42 43 1) (39 43 1) (43 44 1 :DOWN) (42 45 1 :UP) (40 46 1) (46 47 1))
STRUCTURE-ATOMS (O O O O O O O O O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C O C C O O C O O R) (O O O O O O O O O O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C O C C O O C O)
Chondroitin-sulfates chondroitin sulfate ATOM-CHARGES ((35 -1) (31 -1)) NIL
DISPLAY-COORDS-2D ((-22568 -50827) (-29713 -46702) (-29713 -38452) (-22568 -34327) (-15424 -38452) (-15424 -46702) (-22568 -22820) (-31892 -13845) (-39036 -17970) (-46181 -13845) (-46181 -5595) (-39036 -1470) (-31892 -5595) (-8279 -50827) (-8279 -34327) (-24747 -1470) (-53326 -1470) (-53326 -17970) (-39036 6780) (-36858 -34327) (-36858 -50827) (-36858 -59077) (-53326 -26220) (-60471 -13845) (-8279 -26077) (-15424 -21952) (-1134 -21952) (-8279 -59077) (-53326 6780) (-16497 -1470) (-8247 -1470) (-16497 -9720) (-16497 6780) (-45108 -34327) (-53358 -34327) (-45108 -42577) (-45108 -26077)) ((97848 -56082) (60553 -34282) (86719 -53936) (52866 -24423) (60827 -18261) (39888 -64500) (45305 -96501) (54489 -103688) (14022 -3595) (10170 -19639) (11679 -32746) (0 -39503) (9338 -53525) (57478 -8861) (48025 -76246) (97067 -84798) (74473 -49231) (45012 -1017) (64788 -77937) (59983 -42159) (29303 0) (52471 -87312) (4241 -9094) (3593 -47067) (17563 -54175) (69887 -93629) (91969 -69106) (44667 -35359) (61686 -94532) (83477 -89214) (31790 -52849) (61588 -66849) (40211 -22213) (75829 -65675) (46018 -51523) (27458 -28660) (20014 -13935) (16062 -37680) (91149 -60896) (52464 -32663) (52963 -15766) (47347 -68024) (88998 -83083) (75407 -87498) (24293 -49405) (67691 -53929) (40749 -8080) (72858 -79652) (60232 -50405) (32766 -7488) (68370 -62151) (38521 -48079) (31973 -21755) (86448 -75237) (37756 -39865) (44726 -15308) (54128 -63326) (78379 -73521) (53451 -55104) (28251 -14393) (23528 -41191) (30259 -36420) (53494 -95499) (12096 -11617) (8218 -40235))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (4 7 1 :UP) (8 7 1 :UP) (13 8 1) (9 8 1) (9 10 1) (10 11 1) (11 12 1) (12 13 1) (6 14 1 :UP) (5 15 1 :DOWN) (13 16 1 :DOWN) (11 17 1 :DOWN) (10 18 1 :UP) (12 19 1 :UP) (3 20 1 :UP) (2 21 1 :UP) (21 22 1) (18 23 2) (18 24 1) (15 25 1) (25 26 2) (25 27 1) (14 28 1) (17 29 1) (16 30 1) (30 31 1) (30 32 2) (30 33 2) (20 34 1) (34 35 1) (34 36 2) (34 37 2)) ((1 39 1) (2 40 1) (3 39 2) (4 40 2) (5 41 2) (6 42 2) (7 63 2) (8 63 2) (9 64 2) (10 64 2) (11 65 2) (12 65 2) (13 25 1) (14 41 1) (15 42 1) (43 16 1 :UP) (46 17 1 :DOWN) (47 18 1 :DOWN) (48 19 1 :UP) (49 20 1 :UP) (50 21 1 :UP) (22 63 1) (23 64 1) (24 65 1) (45 25 1 :UP) (26 29 1) (44 26 1 :UP) (27 39 1) (54 27 1 :DOWN) (28 40 1) (55 28 1 :DOWN) (29 63 1) (30 43 1) (30 44 1) (31 45 1) (31 52 1) (32 51 1) (32 57 1) (33 53 1) (33 56 1) (51 34 1 :UP) (58 34 1 :UP) (52 35 1 :UP) (59 35 1 :DOWN) (53 36 1 :UP) (62 36 1 :UP) (60 37 1 :DOWN) (37 64 1) (61 38 1 :UP) (38 65 1) (56 41 1 :DOWN) (57 42 1 :UP) (43 54 1) (44 48 1) (45 61 1) (46 49 1) (46 51 1) (47 50 1) (47 56 1) (48 58 1) (49 59 1) (50 60 1) (52 55 1) (53 60 1) (54 58 1) (55 62 1) (57 59 1) (61 62 1))
STRUCTURE-ATOMS (O C C C C C O C O C C C C O N O O C O O C O O O C O C R1 R2 S O O O S O O O) (C C O O O O O O O O O O O O O O O O O O O O O O C C N N O O O O O O O O O O C C C C C C C C C C C C C C C C C C C C C C C C S S S)
KERATAN-6-SULFATE keratan sulfate ATOM-CHARGES ((31 -1) (30 -1)) NIL
DISPLAY-COORDS-2D ((-2946 -6188) (-10091 -2063) (-10091 6188) (-2946 10313) (4198 6188) (4198 -2063) (-30347 10902) (-37492 15027) (-37492 23276) (-30347 27401) (-23203 23276) (-23203 15027) (-17235 -6188) (-15925 12021) (-16059 27401) (-30347 35651) (-44637 27401) (-44504 9488) (-51781 31527) (-2946 18562) (11343 10313) (11343 18562) (18487 22687) (4198 22687) (11343 -6188) (-25485 -6188) (-52754 9488) (-33735 -6188) (-61004 9488) (-41985 -6188) (-69254 9488) (-61004 1238) (-61004 17738) (-33735 -14438) (-33735 2062) (18487 -10313)) ((212130 -232760) (140700 -191510) (140700 -109020) (212130 -67770) (283580 -109020) (283580 -191510) (-29460 -61880) (-100910 -20630) (-100910 61880) (-29460 103130) (41980 61880) (41980 -20630) (-303470 109020) (-374920 150270) (-374920 232760) (-303470 274010) (-232030 232760) (-232030 150270) (355030 -232760) (426470 -274010) (341920 -50680) (212130 14730) (81030 -76610) (69250 -232760) (-2200 -191510) (-172350 -61880) (-243800 -20630) (-159250 120210) (-160590 274010) (-303470 356510) (-446370 274010) (-445040 94880) (-517800 315260) (-29460 185620) (113430 103130) (113430 185620) (184870 226870) (41980 226870) (-527670 142750) (-302140 -78970) (-343390 -150410) (-230690 -120220) (-373590 -37720))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (7 8 1) (8 9 1) (9 10 1) (10 11 1) (11 12 1) (7 12 1) (2 13 1 :UP) (3 14 1 :DOWN) (12 14 1 :UP) (11 15 1 :DOWN) (10 16 1 :UP) (9 17 1 :UP) (8 18 1 :UP) (17 19 1) (4 20 1 :UP) (5 21 1 :DOWN) (21 22 1) (22 23 2) (22 24 1) (6 25 1 :UP) (13 26 1) (18 27 1) (26 28 1) (27 29 1) (28 30 1) (29 31 1) (29 32 2) (29 33 2) (28 34 2) (28 35 2) (36 25 1)) ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (1 6 1) (7 8 1) (8 9 1) (9 10 1) (10 11 1) (11 12 1) (7 12 1) (13 14 1) (14 15 1) (15 16 1) (16 17 1) (17 18 1) (13 18 1) (6 19 1 :UP) (19 20 1) (5 21 1 :DOWN) (4 22 1 :UP) (3 23 1 :UP) (12 23 1 :UP) (2 24 1 :UP) (24 25 1) (8 26 1 :UP) (26 27 1) (9 28 1 :DOWN) (18 28 1 :UP) (17 29 1 :DOWN) (16 30 1 :UP) (15 31 1 :UP) (14 32 1 :UP) (31 33 1) (10 34 1 :UP) (11 35 1 :DOWN) (35 36 1) (36 37 2) (36 38 1) (32 39 1) (27 40 1) (40 41 1) (40 42 2) (40 43 2))
STRUCTURE-ATOMS (O C C C C C O C C C C C C O O O O C R1 O N C O C O O O S S O O O O O O R2) (O C C C C C O C C C C C O C C C C C O R1 O O O C O C O O O O O C R2 O N C O C O S O O O)
Methylesterified-homogalacturonan methylesterified 1,4-α-D-galacturonosyl DISPLAY-COORDS-2D ((-5895 6812) (-5895 15063) (1250 19187) (8395 15063) (8395 6812) (1250 2687) (15539 19187) (1250 27437) (-13039 19187) (-13039 2687) (-13039 -5563) (-20183 6812) (15539 2687) (22683 -1438) (22683 -9688) (29828 2688) (36972 -1438) (36972 -9688) (15539 -13813) (29828 -13813) (8395 -9688) (29828 10938) (44117 2687) (44117 -13813) (51773 -17197) (51773 -25447) (58917 -13073) (66062 -17197) (66062 -25447) (44629 -29572) (44629 -37822) (37484 -25447) (58917 -4823) (73207 -13073) (73207 -29572) (58917 -29572) (15539 -22062) (8394 -26187)) ((-5895 6812) (-5895 15063) (1250 19188) (8395 15063) (8395 6812) (1250 2687) (15539 19188) (1250 27438) (-13039 19188) (-13039 2687) (-13039 -5563) (-20184 6812) (15539 2687) (22684 -1438) (22684 -9688) (29829 2688) (36973 -1438) (36973 -9688) (15539 -13813) (29829 -13813) (8395 -9688) (29829 10938) (44118 2687) (44118 -13813) (51775 -17198) (51775 -25448) (58919 -13073) (66064 -17198) (66064 -25448) (44630 -29573) (44630 -37823) (37485 -25448) (58919 -4823) (73209 -13073) (73209 -29573) (58919 -29573) (15539 -22063) (8394 -26188))
STRUCTURE-ATOMS (C C C C C O O O R1 C O O O C C C C C C O O O O O C C C C C C O O O O R2 O O C) (C C C C C O O O O C O O O C C C C C C O O O O O C C C C C C O O O O O O O C)
Xylogalacturonan a xylogalacturonan DISPLAY-COORDS-2D ((-7835 -10528) (-11789 -3286) (-7496 3758) (752 3563) (4707 -3678) (413 -10723) (5045 10607) (-11450 10999) (-20037 -3090) (-12127 -17572) (-8173 -24812) (-20375 -17376) (12953 -3874) (21201 -4070) (25155 -11310) (25494 2976) (33741 2779) (37696 -4462) (20862 -18355) (33403 -11506) (24816 -25595) (12615 -18159) (21540 10216) (38035 9824) (45943 -4657) (54286 -3958) (58240 -11198) (58578 3086) (66826 2891) (70780 -4349) (53946 -18243) (57901 -25483) (45699 -18047) (54624 10327) (71119 9936) (79028 -4545) (66487 -11394) (35349 40419) (49762 32385) (28513 19688) (35723 15671) (28388 27937) (42802 19904) (35473 32169) (42677 28153) (21244 32062)) ((-7835 -10528) (-11789 -3286) (-7496 3758) (752 3563) (4707 -3678) (413 -10723) (5045 10607) (-11450 10999) (-20037 -3090) (-12127 -17572) (-8173 -24812) (-20375 -17376) (12953 -3874) (21201 -4070) (25155 -11310) (25494 2976) (33741 2779) (37696 -4462) (20862 -18355) (33403 -11506) (24816 -25595) (12615 -18159) (21540 10216) (38035 9824) (45943 -4657) (54286 -3958) (58240 -11198) (58578 3086) (66826 2891) (70780 -4349) (53946 -18243) (57901 -25483) (45699 -18047) (54624 10327) (71119 9936) (79028 -4545) (66487 -11394) (54029 42902) (68234 34506) (68066 18006) (46757 30603) (46675 22350) (53944 34655) (53776 18155) (61047 30454) (60962 22207))
STRUCTURE-BONDS ((31 32 1) (31 33 2) (28 34 1 :UP) (29 35 1 :DOWN) (30 36 1 :DOWN) (27 31 1 :UP) (29 30 1) (28 29 1) (37 30 1) (37 27 1) (26 28 1) (27 26 1) (26 25 1 :UP) (19 21 1) (19 22 2) (16 23 1 :UP) (17 24 1 :DOWN) (18 25 1 :DOWN) (15 19 1 :UP) (17 18 1) (16 17 1) (20 18 1) (20 15 1) (14 16 1) (15 14 1) (14 13 1 :UP) (10 12 2) (10 11 1) (1 10 1 :UP) (2 9 1 :UP) (3 8 1 :UP) (4 7 1 :DOWN) (5 13 1 :DOWN) (4 5 1) (3 4 1) (2 3 1) (1 2 1) (6 5 1) (6 1 1) (44 45 1) (43 45 1) (42 44 1) (41 43 1) (40 42 1) (40 41 1) (45 39 1 :DOWN) (44 38 1 :UP) (43 34 1 :UP) (42 46 1 :DOWN)) ((31 32 1) (31 33 2) (28 34 1 :UP) (29 35 1 :DOWN) (30 36 1 :DOWN) (27 31 1 :UP) (29 30 1) (28 29 1) (37 30 1) (37 27 1) (26 28 1) (27 26 1) (26 25 1 :UP) (19 21 1) (19 22 2) (16 23 1 :UP) (17 24 1 :DOWN) (18 25 1 :DOWN) (15 19 1 :UP) (17 18 1) (16 17 1) (20 18 1) (20 15 1) (14 16 1) (15 14 1) (14 13 1 :UP) (10 12 2) (10 11 1) (1 10 1 :UP) (2 9 1 :UP) (3 8 1 :UP) (4 7 1 :DOWN) (5 13 1 :DOWN) (4 5 1) (3 4 1) (2 3 1) (1 2 1) (6 5 1) (6 1 1) (45 46 1) (44 46 1) (43 45 1) (42 44 1) (41 43 1) (41 42 1) (46 40 1 :DOWN) (45 39 1 :UP) (43 38 1 :DOWN) (44 34 1))
STRUCTURE-ATOMS (C C C C C O O O R1 C O O O C C C C C C O O O O O O C C C C C C O O O O R2 O O O C O C C C C O) (C C C C C O O O R1 C O O O C C C C C C O O O O O O C C C C C C O O O O R2 O O O O C O C C C C)
CHITIN chitin DISPLAY-COORDS-2D ((73659 -9529) (87949 -17779) (52224 2846) (52224 -21904) (109383 -5404) (52224 19347) (109383 -30154) (73659 6971) (30791 31722) (45080 39972) (123674 -5404) (95094 2846) (59370 39972) (80804 -30154) (23645 27597) (130818 -9529) (66515 -30154) (30791 15222) (123674 -21904) (59370 -9529) (59370 -17779) (66515 -21904) (73659 -17779) (66515 -5404) (102239 -17779) (52224 -5404) (80804 -21904) (109383 -21904) (102239 -9529) (45080 15222) (37935 19347) (116529 -17779) (95094 -21904) (66515 2846) (37935 27597) (45080 31722) (45080 6971) (116529 -9529) (52224 27597) (95094 -5404) (59370 31722) (73659 -34280) (23645 19347) (130818 -17779) (73659 -42530) (16500 15222) (137963 -21904)) ((40234 -32067) (33485 -38816) (20054 0) (15904 -19057) (0 -16507) (15904 -5345) (25961 -27211) (37503 -16475) (6342 -16384) (25961 -9984) (33485 -32067) (15904 -23134) (15904 -9984) (31165 -16384) (25961 -23134) (10419 -16384) (68647 -17612) (57329 -10737) (46838 -23542) (47279 -10399) (62316 -17309) (56888 -23879) (41582 -16612) (75405 -17612) (57329 -3979) (63182 -600) (69710 -2349) (63182 6158) (50658 -16252) (46838 -30300) (51617 -35079))
STRUCTURE-BONDS ((1 23 1) (1 24 1) (2 27 1) (2 33 1) (3 26 1) (3 37 1) (21 4 1 :UP) (5 29 1) (5 38 1) (6 30 1) (6 39 1) (28 7 1 :UP) (8 34 1) (35 9 1 :UP) (36 10 1 :UP) (38 11 1 :DOWN) (12 40 1) (13 41 1) (14 42 2) (15 43 2) (16 44 2) (17 22 1) (17 42 1) (18 31 1) (18 43 1) (19 32 1) (19 44 1) (20 21 1) (20 24 1) (20 26 1 :UP) (21 22 1) (22 23 1) (23 27 1 :DOWN) (24 34 1) (25 28 1) (25 29 1) (25 33 1 :UP) (28 32 1) (29 40 1) (30 31 1) (30 37 1 :DOWN) (31 35 1) (32 38 1) (35 36 1) (36 39 1) (39 41 1) (42 45 1) (43 46 1) (44 47 1)) ((14 15 1) (13 16 1) (12 16 1) (12 15 1) (10 14 1) (10 13 1) (9 16 1) (7 15 1) (7 11 1) (6 13 1) (5 9 1) (4 12 1) (3 6 1) (2 11 2) (1 11 1) (14 8 1) (8 23 1) (17 21 1) (18 21 1) (18 20 1) (19 23 1) (19 22 1) (20 23 1) (21 22 1) (17 24 1) (18 25 1) (25 26 1) (26 27 1) (26 28 2) (20 29 1) (19 30 1) (30 31 1))
STRUCTURE-ATOMS (O O O O O O O O O R1 R2 O O O O O N N N C C C C C C C C C C C C C C C C C C C C C C C C C C C C) (C O O O R C N O O O C C C C C C O C C C C O C R N C C O O C O)
1-3-beta-D-Glucans a 1,3-β-D-glucan STRUCTURE-ATOMS (O C C C C C O C C C C C O O O O C O O O O C O O C C C C C O O R O C O R) (O C C C C C O C C C C C O O O O O O O O O O O O C C C C C O O R O O O R)
DIACYLGLYCEROL a 1,2-diacylglycerol DISPLAY-COORDS-2D ((2142 -1238) (714 -2887) (0 -2474) (2857 0) (2142 -2887) (0 -1650) (714 -412) (1429 0) (1429 -1650) (2142 -412) (1429 -2474) (714 -1238)) ((2143 -1238) (714 -2888) (0 -2475) (2858 0) (2143 -2888) (0 -1650) (714 -412) (1429 0) (1429 -1650) (2143 -412) (1429 -2475) (714 -1238))
STRUCTURE-BONDS ((12 9 1 :DOWN) (9 11 1) (8 10 1) (7 12 1) (7 8 1) (6 12 1) (5 11 1) (4 10 1) (3 6 1) (2 11 2) (1 10 2)) ((1 10 2) (2 11 2) (3 6 1) (4 10 1) (5 11 1) (6 12 1) (7 8 1) (7 12 1) (8 10 1) (9 11 1) (12 9 1 :UP))
Long-Chain-oxoacyl-CoAs a long-chain 3-oxoacyl-CoA SUPERATOMS COA-GROUP NIL
ACYL-COA an acyl-CoA SUPERATOMS Annot. on value COA-GROUP, REPLACES-ATOM: (47);Annot. on value COA-GROUP, CONNECTED-TO: (49); Annot. on value COA-GROUP, REPLACES-ATOM: (16);Annot. on value COA-GROUP, CONNECTED-TO: (27);
AROMATIC-RINGS NIL ((5 32 46 21 9) (54 43 29 17 32 5))
ATOM-CHARGES ((19 -1) (10 -1) (4 -1) (2 -1)) NIL
DISPLAY-COORDS-2D ((673200 -1882100) (-2530500 -3778000) (922500 -433400) (-1170300 -5272500) (1454300 -2147500) (2225400 -852400) (-2214900 -2627500) (2523700 -2946500) (927300 -7075100) (-1694400 418300) (-1419000 -4132600) (-396200 -1083300) (-1216700 -6665700) (2128200 -1671600) (-1797400 -3399500) (2983400 -526900) (-700 -2358100) (-44400 412800) (-866700 1240600) (-1931800 -6254200) (1698800 -2935500) (-872200 -409400) (-1449500 -2108800) (-1864600 -4826900) (-661600 -1864300) (-869400 415600) (-2310200 -5521200) (2789100 -2165300) (3644300 -1020700) (-2558900 -4381200) (-1064300 -3021100) (4208100 -2333600) (3547200 -1839800) (428700 -1094300) (212200 -6663600) (-501700 -7077200) (211000 -5838600) (-500500 -7902200) (-1628200 -7380800) (-805300 -5950600) (1641200 -6661600) (2356200 -7073000) (3070100 -6659500) (3785200 -7070900) (4499000 -6657400) (5214100 -7068900) (5928000 -6655300) (3068900 -5834500) (6642500 -7067800) (7356900 -6655300) (6642500 -7892800)) ((65732086 -58566976) (-17757010 -42990655) (-56074770 -84423673) (12772584 -42990655) (76012456 8099687) (62616813 46417440) (-87227416 -12461060) (44236755 -26791280) (90031147 -6) (12772584 -10280377) (-63551400 -28660440) (-100000000 -36137074) (-25856698 -84423673) (65732086 -38006234) (-68535830 -77881620) (-13084114 -75389410) (62616813 29906535) (65732086 -48286605) (-76947040 -52647980) (-63551400 -44859815) (99688470 14953268) (84112144 -47663552) (75700927 -58566976) (-68535830 -61059190) (84112144 -38006234) (59190020 -36448598) (934577 -85046730) (-87538940 -85046730) (49844230 22118378) (65732086 -28348910) (-63551400 -12461060) (76012456 22741425) (-17757010 -10280377) (-87227416 -28660440) (-17757010 -26791280) (90031147 -27102804) (84112144 -28348910) (28660430 -26791280) (17445481 -75389410) (65732086 -68847350) (-36448598 -26791280) (-76947040 -36137074) (49844230 7476628) (934577 -100000000) (59190020 -27102804) (89096570 28660430) (90031147 -36448598) (-3426796 -26791280) (-39875394 -76323986) (55451703 -58878505) (12772584 -26791280) (74454820 -18068540) (-100000000 -77881620) (64174450 -623053) (-50778820 -36137074))
STRUCTURE-BONDS ((1 5 1 :UP) (1 34 1) (17 1 1) (2 15 1) (34 3 1 :DOWN) (4 24 1) (5 21 1) (14 5 1) (16 6 2) (6 14 1) (7 23 1) (15 7 1) (8 28 1) (21 8 2) (9 35 1) (9 41 1) (10 26 1) (11 15 1) (24 11 1) (12 34 1) (12 22 1 :DOWN) (25 12 1) (13 20 1) (36 13 1) (13 39 1) (13 40 1) (28 14 2) (31 15 2) (29 16 1) (25 17 1) (18 26 2) (19 26 1) (20 27 1) (22 26 1) (25 23 1 :UP) (27 24 1) (30 24 2) (28 33 1) (33 29 2) (32 33 1) (35 36 1) (37 35 2) (36 38 1 :UP) (41 42 1) (42 43 1) (43 44 1) (43 48 2) (44 45 1) (45 46 1) (46 47 1) (47 49 1) (49 50 1) (49 51 2)) ((55 41 1) (54 5 :AROMATIC) (53 12 1) (52 36 1) (51 38 1) (50 1 2) (49 3 1) (48 51 1) (47 36 1) (46 21 :AROMATIC) (45 52 1) (45 14 1) (43 54 :AROMATIC) (42 11 1) (41 35 1) (40 1 1) (38 8 1) (37 25 1) (36 9 1) (36 25 1) (35 48 1) (34 42 1) (33 35 2) (32 46 :AROMATIC) (32 17 :AROMATIC) (31 11 1) (30 14 1) (29 43 :AROMATIC) (28 53 1) (27 44 2) (27 16 1) (27 39 1) (26 45 1) (24 15 2) (23 1 1) (22 25 1) (21 9 :AROMATIC) (20 11 1) (19 42 1) (17 29 :AROMATIC) (16 13 1) (15 28 1) (14 18 1) (14 25 1) (13 49 1) (12 34 1) (11 55 1) (10 51 2) (9 5 :AROMATIC) (8 45 1) (7 34 2) (6 17 1) (5 32 :AROMATIC) (4 51 1) (3 15 1) (2 35 1) (1 18 1))
STRUCTURE-ATOMS (C O O O N N O N N O O C C C P C O O O C C O C P C P O C N O O N C C C C O O C C C C C N C C S O C R O) (P O N O C N O C N O C N C C C S C O O C C O O O C H C C N H C C O C P C H O R O O C C O C N H O C O P O C N C)
D2-ENOYL-COA a 2,3-dehydroacyl-CoA ATOM-CHARGES ((23 -1) (14 -1) (8 -1) (6 -1)) NIL
3-KETOACYL-COA a 3-oxoacyl-CoA ATOM-CHARGES ((24 -1) (15 -1) (9 -1) (7 -1)) NIL
D-3-HYDROXYACYL-COA a (3R)-3-hydroxyacyl-CoA ATOM-CHARGES ((24 -1) (15 -1) (9 -1) (7 -1)) NIL
L-3-HYDROXYACYL-COA a (3S)-3-hydroxyacyl-CoA ATOM-CHARGES ((26 -1) (17 -1) (11 -1) (9 -1)) NIL
Long-Chain-3-Hydroxyacyl-CoAs a long-chain (3R)-3-hydroxyacyl-CoA SUPERATOMS COA-GROUP NIL
Fatty-Acyl-CoA a long-chain acyl-CoA SUPERATOMS Annot. on value COA-GROUP, REPLACES-ATOM: (3);Annot. on value COA-GROUP, CONNECTED-TO: (4); Annot. on value COA-GROUP, REPLACES-ATOM: (16);Annot. on value COA-GROUP, CONNECTED-TO: (49);
AROMATIC-RINGS NIL ((28 8 19 34 32) (15 41 53 48 8 28))
DISPLAY-COORDS-2D ((173960 -488740) (247130 -366010) (104250 -364010) (175110 -406250) (-421230 113310) (-741600 -76280) (-396300 258180) (-605580 -225730) (-343120 86770) (-266010 216280) (-710040 38770) (-236180 6870) (-395820 -405990) (-657990 343350) (-630450 -111740) (-528170 193190) (-610220 -365050) (-275730 134360) (-668290 -38430) (-190210 248830) (-488620 65710) (-492990 342800) (-575220 425580) (-681730 -323900) (-318670 7970) (-575770 260580) (-633500 90640) (-675010 -181170) (-554710 115090) (-575490 343080) (-719570 -250600) (-209640 84990) (-124120 199450) (-744440 -136600) (-594980 -590) (-67740 68160) (-133830 117540) (-445680 192090) (-467330 -364840) (-538720 -406200) (-467450 -282340) (-538600 -488700) (-651370 -436560) (-569080 -293540) (-324430 -364640) (-252930 -405780) (-181540 -364430) (-110030 -405570) (-38650 -364220) (32860 -405370) (-181660 -281930)) ((12772584 -10280377) (-63551400 -44859815) (65732086 -28348910) (65732086 -68847350) (55451703 -58878505) (-100000000 -36137074) (84112144 -47663552) (76012456 22741425) (-76947040 -36137074) (74454820 -18068540) (65732086 -38006234) (-68535830 -61059190) (-87227416 -28660440) (934577 -100000000) (64174450 -623053) (-13084114 -75389410) (59190020 -36448598) (90031147 -27102804) (89096570 28660430) (65732086 -48286605) (-87538940 -85046730) (28660430 -26791280) (-3426796 -26791280) (65732086 -58566976) (-17757010 -42990655) (-56074770 -84423673) (12772584 -42990655) (76012456 8099687) (62616813 46417440) (-87227416 -12461060) (44236755 -26791280) (90031147 -6) (-63551400 -28660440) (99688470 14953268) (-63551400 -12461060) (-36448598 -26791280) (12772584 -26791280) (-25856698 -84423673) (75700927 -58566976) (-17757010 -10280377) (49844230 7476628) (-100000000 -77881620) (-68535830 -77881620) (84112144 -38006234) (-17757010 -26791280) (59190020 -27102804) (-50778820 -36137074) (62616813 29906535) (934577 -85046730) (84112144 -28348910) (90031147 -36448598) (-76947040 -52647980) (49844230 22118378) (17445481 -75389410) (-39875394 -76323986))
STRUCTURE-BONDS ((3 4 1) (2 4 1) (1 4 2) (50 3 1) (5 9 1 :UP) (5 38 1) (6 19 1) (38 7 1 :DOWN) (8 28 1) (9 25 1) (20 10 2) (11 27 1) (12 32 1) (13 39 1) (14 30 1) (15 19 1) (16 38 1) (17 24 1) (10 18 1) (18 9 1) (19 11 1) (33 20 1) (21 5 1) (22 30 2) (23 30 1) (24 31 1) (25 12 2) (26 30 1) (16 26 1 :DOWN) (29 27 1 :UP) (28 15 1) (29 21 1) (29 16 1) (31 28 1) (32 18 2) (37 33 2) (34 28 2) (35 19 2) (36 37 1) (32 37 1) (39 40 1) (40 17 1) (41 39 2) (40 42 1 :UP) (17 43 1) (17 44 1) (13 45 1) (45 46 1) (46 47 1) (47 48 1) (48 49 1) (49 50 1) (47 51 2)) ((55 26 1) (53 41 :AROMATIC) (52 9 1) (51 18 1) (50 44 1) (49 54 1) (49 16 1) (49 14 2) (48 53 :AROMATIC) (47 36 1) (46 11 1) (46 10 1) (45 23 1) (43 21 1) (42 6 1) (41 15 :AROMATIC) (40 45 2) (39 24 1) (38 55 1) (37 22 1) (36 45 1) (35 33 1) (34 32 :AROMATIC) (33 47 1) (32 28 :AROMATIC) (31 46 1) (30 13 2) (29 48 1) (28 8 :AROMATIC) (27 37 1) (26 43 1) (25 45 1) (24 20 1) (23 37 1) (22 31 1) (21 42 1) (19 34 :AROMATIC) (18 44 1) (18 32 1) (17 46 1) (16 38 1) (15 28 :AROMATIC) (13 9 1) (12 43 2) (11 44 1) (11 20 1) (10 18 1) (9 33 1) (8 48 :AROMATIC) (8 19 :AROMATIC) (7 44 1) (6 13 1) (5 24 2) (4 24 1) (3 11 1) (2 33 1) (1 37 2))
STRUCTURE-ATOMS (O R S C C O O O N N O N N O O C C C P C O O O C C O C P C P O C N O O N C C C C O O C C C C C N C C O) (O C H O O N O C C O C O C O N S H C N O C O O P O N O C N O C N C C C O P C O O C C C C P C C C C H H O N R C)
Saturated-Fatty-Acyl-CoA a 2,3,4-saturated fatty acyl CoA ATOM-CHARGES ((22 -1) (13 -1) (7 -1) (5 -1)) NIL
Long-Chain-234-Saturated-acyl-CoAs a long-chain 2,3,4-saturated fatty acyl CoA SUPERATOMS COA-GROUP NIL
TRANS-D2-ENOYL-COA a trans-2,3-dehydroacyl-CoA ATOM-CHARGES ((25 -1) (16 -1) (10 -1) (8 -1)) NIL
Long-Chain-Trans-23-Dehydroacyl-CoA a long-chain trans-2,3-dehydroacyl-CoA SUPERATOMS COA-GROUP NIL
Aldoxime an aldoxime DISPLAY-COORDS-2D ((1191 -14197) (1191 -5947) (7025 -20030) (8336 -1822) (-5954 -1822)) ((-1000 -1000) (329 -1000) (-329 -1000) (986 -1000))
STRUCTURE-BONDS ((1 2 2) (1 3 1) (2 4 1) (2 5 1)) ((3 2 2) (2 4 1) (1 3 1))
STRUCTURE-ATOMS (N C O R1 H) (R N C O)
Protein-L-serines a protein L-serine DISPLAY-COORDS-2D ((-12228 -15322) (-5084 -11197) (2061 -15322) (9206 -11197) (16350 -15322) (23492 -11197) (2061 -23569) (9206 -27694) (9206 -35944) (16350 -23569) (9206 -2947)) ((12828 5322) (5683 9447) (5683 17697) (-8606 9447) (-15751 5322) (-1461 5322) (-1461 -2928) (-7295 -8762))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1) (4 5 1) (5 6 1) (3 7 1) (7 8 1) (8 9 2) (8 10 1) (4 11 2)) ((6 2 1) (2 1 1) (2 3 2) (6 4 1) (4 5 1) (6 7 1 :UP) (7 8 1))
STRUCTURE-ATOMS (O C C C N |Protein| N C O |Protein| O) (|Protein| C O N |Protein| C C O)
PROT-CYS a protein L-cysteine DISPLAY-COORDS-2D ((-1050 -15800) (-72140 24220) (72140 24220) (-1050 -99000) (-72140 106720) (130470 -34110) (57290 -157330) (-143580 -17030)) ((-1050 -15800) (-144810 -15800) (-72140 24220) (72140 24220) (-1050 -99000) (-216260 25450) (-72140 106720) (130480 -34110) (57290 -157340))
STRUCTURE-BONDS ((1 4 1 :UP) (2 1 1) (3 1 1) (2 5 2) (3 6 1) (4 7 1) (2 8 1)) ((1 5 1 :UP) (2 3 1) (3 1 1) (4 1 1) (2 6 1) (3 7 2) (4 8 1) (5 9 1))
STRUCTURE-ATOMS (C C C N O S |Protein| |Protein|) (C N C C N |Protein| O S |Protein|)
Protein-3-phospho-L-histidines a protein-Nπ-phospho-L-histidine AROMATIC-RINGS NIL (10 6 11 12 9)
STRUCTURE-BONDS ((17 13 2) (17 15 1) (17 14 1) (16 17 1) (12 16 1) (9 1 1) (1 4 1) (4 3 1) (3 2 1) (3 5 2) (4 7 1) (11 6 2) (6 10 1) (12 11 1) (9 12 1) (10 9 2) (7 8 1)) ((17 13 2) (17 15 1) (17 14 1) (16 17 1) (12 16 1) (9 1 1) (1 4 1) (4 3 1) (3 2 1) (3 5 2) (4 7 1) (11 6 :AROMATIC) (6 10 :AROMATIC) (12 11 :AROMATIC) (9 12 :AROMATIC) (10 9 :AROMATIC) (7 8 1))
Protein-tyrosine-O-sulfates a protein L-tyrosine-O-sulfate DISPLAY-COORDS-2D ((-3047 -20433) (19164 -2538) (-17261 -12311) (11169 -12183) (4061 -7995) (-3047 -12183) (-17261 -20306) (-10153 -8122) (-10153 -24494) (19164 -7360) (11169 -17641) (12878 -30619) (17003 -23475) (25253 -23475) (25214 -12969) (32359 -8844) (-24561 -24149) (-32530 -26284) (-32530 -34534) (-40780 -26284) (-32530 -18034)) ((-3047 -20433) (19164 -2538) (-17261 -12311) (11169 -12183) (4061 -7995) (-3047 -12183) (-17261 -20306) (-10153 -8122) (-10153 -24494) (19164 -7360) (11169 -17641) (12878 -30619) (17003 -23475) (25253 -23475) (25214 -12969) (32359 -8844) (-24561 -24149))
STRUCTURE-BONDS ((15 16 1) (13 14 2) (13 12 1) (11 13 1) (1 9 1) (3 8 2) (4 10 1) (4 11 1 :UP) (5 4 1) (6 5 1) (6 1 2) (7 3 1) (8 6 1) (9 7 2) (17 7 1) (10 2 2) (10 15 1) (17 18 1) (18 19 2) (18 20 1) (18 21 2)) ((15 16 1) (13 14 2) (13 12 1) (11 13 1) (1 9 1) (3 8 2) (4 10 1) (4 11 1 :UP) (5 4 1) (6 5 1) (6 1 2) (7 3 1) (8 6 1) (9 7 2) (17 7 1) (10 2 2) (10 15 1))
STRUCTURE-ATOMS (C O C C C C C C C C N |Protein| C O N |Protein| O S O O O) (C O C C C C C C C C N |Protein| C O N |Protein| O)
CPD-557 a protein-Nω-(ADP-D-ribosyl)-L-arginine AROMATIC-RINGS NIL ((6 5 4 7 9 10) (10 9 8 12 11))
STRUCTURE-BONDS ((47 48 1) (47 49 2) (46 47 1) (51 45 1) (44 51 1) (44 50 2) (43 46 1 :UP) (43 44 1) (42 43 1) (41 42 1) (40 41 1) (39 40 1) (38 39 1) (2 3 1) (38 2 1) (38 1 2) (10 11 1) (17 19 1 :UP) (11 12 1) (14 20 1 :UP) (12 8 2) (18 21 1) (7 4 2) (21 22 1) (7 13 1) (22 23 2) (10 9 2) (22 24 1) (22 25 1) (4 5 1) (25 26 1) (5 6 2) (26 27 1) (6 10 1) (26 28 2) (14 15 1) (26 29 1) (15 16 1) (16 3 1) (3 17 1) (17 14 1) (9 7 1) (30 31 1) (31 32 1) (32 33 1) (33 34 1) (34 30 1) (15 18 1 :DOWN) (30 35 1 :DOWN) (8 9 1) (34 36 1 :DOWN) (33 37 1 :UP) (29 37 1) (31 11 1 :UP)) ((47 48 1) (47 49 2) (46 47 1) (51 45 1) (44 51 1) (44 50 2) (43 46 1 :UP) (43 44 1) (42 43 1) (41 42 1) (40 41 1) (39 40 1) (38 39 1) (2 3 1) (38 2 1) (38 1 2) (10 11 :AROMATIC) (17 19 1 :UP) (11 12 :AROMATIC) (14 20 1 :UP) (12 8 :AROMATIC) (18 21 1) (7 4 :AROMATIC) (21 22 1) (7 13 1) (22 23 2) (10 9 :AROMATIC) (22 24 1) (22 25 1) (4 5 :AROMATIC) (25 26 1) (5 6 :AROMATIC) (26 27 1) (6 10 :AROMATIC) (26 28 2) (14 15 1) (26 29 1) (15 16 1) (16 3 1) (3 17 1) (17 14 1) (9 7 :AROMATIC) (30 31 1) (31 32 1) (32 33 1) (33 34 1) (34 30 1) (15 18 1 :DOWN) (30 35 1 :DOWN) (8 9 :AROMATIC) (34 36 1 :DOWN) (33 37 1 :UP) (29 37 1) (31 11 1 :UP))
ENZYME-S-SULFANYLCYSTEINE a protein-S-sulfanylcysteine DISPLAY-COORDS-2D ((-5734 690) (1493 -3289) (15784 -3289) (1493 -11490) (23985 -3289) (8491 -17935) (-5734 8972) (8557 690) (-14597 -3987)) ((-5768 694) (1502 -3309) (15878 -3309) (-28156 4600) (1502 -11559) (24128 -3309) (8542 -18042) (-5768 9026) (8608 694) (-14684 -4011))
STRUCTURE-BONDS ((8 2 1) (7 1 2) (4 6 1) (3 8 1) (3 5 1) (2 4 1 :UP) (1 2 1) (1 9 1)) ((9 2 1) (8 1 2) (5 7 1) (3 9 1) (3 6 1) (2 5 1 :UP) (1 2 1) (1 10 1) (4 10 1))
STRUCTURE-ATOMS (C C S N S |Protein| O C |Protein|) (C C S |Protein| N S |Protein| O C N)
D-Amino-Acids a D-amino acid ATOM-CHARGES ((4 1) (3 -1)) NIL
DISPLAY-COORDS-2D ((2141500 -1236900) (713700 -2060200) (-700 -824300) (1428100 0) (713700 -1236900) (1428100 -824300)) ((0 -1238) (1429 -2062) (2144 -825) (714 0) (1429 -1238) (714 -825))
STRUCTURE-BONDS ((1 6 1) (2 5 2) (3 5 1) (6 4 1 :UP) (5 6 1)) ((1 6 1) (2 5 2) (3 5 1) (4 6 1) (5 6 1))
STRUCTURE-ATOMS (R O O N C C) (N O O R1 C C)
Amino-Acids-20 a standard α amino acid ATOM-CHARGES ((3 -1) (1 1)) NIL
DISPLAY-COORDS-2D ((786 0) (1461 -2065) (2210 -808) (0 -1211) (1466 -1211) (786 -744)) ((1289 0) (2395 -3386) (3624 -1324) (0 -1986) (2404 -1986) (1289 -1220))
STRUCTURE-BONDS ((5 6 1) (4 6 1) (3 5 1) (2 5 2) (6 1 1 :UP)) ((5 6 1) (4 6 1) (3 5 1) (2 5 2) (1 6 1))
L-1-PHOSPHATIDYL-SERINE an L-1-phosphatidylserine ATOM-CHARGES ((22 1) (12 -1) (1 -1)) NIL
DISPLAY-COORDS-2D ((48450 -29549) (1900 -29549) (10675 -37877) (-19814 -25533) (41312 -42190) (10675 -29549) (27629 -33862) (34619 -29697) (-18030 -41149) (-12675 -36985) (-27250 -29549) (10675 -21220) (18408 -29549) (-41677 -29549) (-34389 -25533) (-34389 -17205) (-26358 -41149) (41312 -33862) (-12675 -29549) (-11188 -45760) (-5388 -25533) (34619 -21369)) ((-100000 -72652) (3130 -72652) (-16310 -54201) (51236 -81549) (-84185 -44646) (-16310 -72652) (-53871 -63097) (-69357 -72323) (47282 -46952) (35420 -56178) (67710 -72652) (-16310 -91104) (-33443 -72652) (99671 -72652) (83526 -81549) (83526 -100000) (65733 -46952) (-84185 -63097) (35420 -72652) (32125 -36738) (19275 -81549) (-69357 -90774))
STRUCTURE-BONDS ((8 22 1 :UP) (21 2 1) (20 9 1) (19 21 1) (18 8 1) (17 9 2) (16 15 2) (15 11 1) (14 15 1) (13 6 1) (12 6 1) (11 4 1) (19 10 1 :UP) (9 10 1) (8 7 1) (7 13 1) (5 18 2) (4 19 1) (3 6 2) (2 6 1) (1 18 1)) ((22 8 1) (21 2 1) (20 9 1) (19 21 1) (18 8 1) (17 9 2) (16 15 2) (15 11 1) (14 15 1) (13 6 1) (12 6 1) (11 4 1) (10 19 1) (9 10 1) (8 7 1) (7 13 1) (5 18 2) (4 19 1) (3 6 2) (2 6 1) (1 18 1))
STRUCTURE-ATOMS (O O O C O P C C C O O O O R1 C O O C C R2 C N) (O O O C O P C C C O O O O R C O O C C R C N)
Ceramides a ceramide DISPLAY-COORDS-2D ((422 -322) (493 -512) (353 -512) (422 -555) (422 -635) (634 -512) (422 -392) (566 -555) (493 -432) (353 -432)) ((0.665236 -0.5064378) (0.776824 -0.80686694) (0.555794 -0.80686694) (0.332618 -0.80686694) (0.665236 -0.87339056) (0.4420601 -0.87339056) (-0.77896994 -0.80686694) (0.10729611 -0.80686694) (-0.111588 -0.80686694) (-1.0 -0.80686694) (0.665236 -1.0) (0.22103 -0.87339056) (-0.22317594 -0.87339056) (0.9978541 -0.80686694) (-0.002145946 -0.87339056) (0.665236 -0.6180258) (-0.33476394 -0.80686694) (-0.89055794 -0.87339056) (-0.444206 -0.87339056) (-0.555794 -0.80686694) (-0.6695279 -0.87339056) (0.8905579 -0.87339056) (0.776824 -0.6802575) (0.555794 -0.6802575))
STRUCTURE-BONDS ((10 7 1) (9 2 1) (8 2 1) (7 9 1) (7 1 2) (6 8 1) (5 4 1) (3 4 1) (2 4 1)) ((24 16 1) (23 2 1) (22 2 1) (21 20 1) (20 19 1) (19 17 1) (18 7 1) (17 13 1) (16 23 1) (16 1 2) (15 8 1) (14 22 1) (13 9 1) (12 4 1) (11 5 1) (10 18 1) (9 15 1) (8 12 1) (7 21 1) (6 3 2) (4 6 1) (3 5 1) (2 5 1))
STRUCTURE-ATOMS (O C R1 C O O C C N R2) (O C C C C C C C C C O C C O C C C C C C C C N R)
Sphingomyelins a sphingomyelin DISPLAY-COORDS-2D ((18845 73852) (-45458 77977) (11700 77977) (-98491 70832) (-66892 73852) (-106741 85122) (-66892 65602) (40279 77977) (-74037 77977) (-9734 73852) (-88326 77977) (-16879 77977) (-31168 77977) (-59747 77977) (-69912 85122) (47423 73852) (-24024 73852) (-78162 70832) (33134 73852) (-45458 86227) (-95471 82102) (-59747 61477) (-52603 73852) (-59747 53227) (4555 73852) (-81181 82102) (-2590 77977) (-109760 73852) (-52603 65602) (54568 77977) (61713 73852) (25989 77977) (-38313 73852) (-102616 77977)) ((-55815 70579) (2346 75951) (-50891 75951) (86016 74830) (28744 70803) (77960 60066) (13531 47535) (-69457 76848) (41274 76400) (-32323 70579) (60290 70803) (-26510 75951) (-15100 75951) (20025 75951) (41274 86240) (-74830 70579) (-21362 70579) (41274 67000) (-65654 70579) (-1682 79978) (69242 75503) (21810 52236) (11073 70803) (30089 47311) (-45750 70579) (51787 76400) (-41050 75951) (86016 64542) (21810 61860) (-80427 75951) (-86240 70579) (-60066 75951) (-6373 70803) (77960 69682))
L-1-PHOSPHATIDYL-ETHANOLAMINE an L-1-phosphatidyl-ethanolamine ATOM-CHARGES ((19 1) (10 -1)) NIL
DISPLAY-COORDS-2D ((1900 -29546) (10674 -37874) (-19812 -25531) (10674 -29546) (27627 -33859) (34616 -29694) (-18028 -41145) (-12674 -36982) (-27248 -29546) (10674 -21218) (18406 -29546) (-41673 -29546) (-34386 -25531) (-34386 -17203) (-26356 -41145) (-12674 -29546) (-11187 -45756) (-5388 -25531) (34616 -21367)) ((229300 -314900) (143820 -196320) (-75640 -279800) (-75640 -197910) (75150 -3550) (10350 -197910) (6290 43470) (10350 -109830) (-205200 -148180) (8140 114250) (-263210 -206230) (229300 -240420) (75150 -74760) (-154400 -197910) (-75640 -116050) (143820 -106140) (-322280 -150250) (297250 -198040) (-62080 -2700))
STRUCTURE-BONDS ((6 19 1) (18 1 1) (17 7 1) (16 18 1) (15 7 2) (14 13 2) (13 9 1) (12 13 1) (11 4 1) (10 4 1) (9 3 1) (16 8 1 :UP) (7 8 1) (6 5 1) (5 11 1) (3 16 1) (2 4 2) (1 4 1)) ((1 12 2) (2 16 1) (3 4 1) (5 13 1) (6 4 1) (7 5 1) (8 6 1) (19 7 1) (9 14 1) (10 7 2) (11 9 1) (12 2 1) (13 8 1) (14 4 1) (15 4 2) (16 13 1) (17 11 1) (18 12 1))
STRUCTURE-ATOMS (O O C P C C C O O O O R1 C O O C R2 C N) (O O O P O O C C C O C C C O O C N R1 R2)
L-1-PHOSPHATIDYL-GLYCEROL an L-1-phosphatidyl-glycerol ATOM-CHARGES (8 -1) NIL
DISPLAY-COORDS-2D ((7422 -2929) (8247 -2933) (7426 -2104) (10390 -3366) (8962 -3346) (11111 -2963) (9682 -2943) (7418 -3754) (9693 -2118) (6597 -2925) (2311 -2925) (3025 -3338) (3739 -2925) (4454 -3338) (5168 -2925) (5883 -3338) (3025 -4162) (5168 -2100) (4454 -1688) (3739 -2100) (4454 -862)) ((6430 -432) (4287 -844) (7981 -4144) (7990 -2494) (7859 -432) (5716 -1669) (6430 -2906) (5716 -844) (7145 -3319) (7145 -1669) (7145 -844) (5001 -432) (6430 -2082) (7970 -3319) (8795 -3319) (9643 -2842) (5001 394) (10230 -3258) (10230 -4083) (10841 -2900) (10841 -2075))
STRUCTURE-BONDS ((10 1 1) (7 9 1 :DOWN) (7 5 1) (7 4 1) (4 6 1) (1 3 2) (1 8 1) (11 12 1) (12 13 1) (13 14 1) (14 15 1) (15 16 1) (12 17 2) (16 10 1) (15 18 1 :DOWN) (1 2 1) (2 5 1) (18 19 1) (19 20 1) (19 21 2)) ((18 20 1) (16 18 1) (15 16 1) (1 11 2) (2 12 2) (3 14 2) (4 14 1) (15 14 1) (5 11 1) (6 8 1) (6 13 1) (7 9 1) (7 13 1) (8 12 1) (9 14 1) (17 12 1) (10 11 1) (10 13 1) (18 19 1) (20 21 1))
STRUCTURE-ATOMS (P O O C C O C O O O R1 C O C C C O O C R2 O) (O O O O R1 C C O O O C C C P O C R1 C O C O)
L-1-PHOSPHATIDYL-GLYCEROL-P an L-1-phosphatidylglycerol-phosphate ATOM-CHARGES ((12 -1) (10 -1) (9 -1)) NIL
DISPLAY-COORDS-2D ((7422 -2929) (8247 -2933) (7426 -2104) (11936 -2967) (12761 -2971) (10390 -3366) (8962 -3346) (11111 -2963) (11940 -2142) (11932 -3792) (9682 -2943) (7418 -3754) (9693 -2118) (6597 -2925) (2311 -2925) (3025 -3338) (3739 -2925) (4454 -3338) (5168 -2925) (5883 -3338) (3025 -4162) (5168 -2100) (4454 -1688) (3739 -2100) (4454 -862)) ((-889 -16444) (20000 -16444) (-889 -38667) (78667 -79111) (-47556 9333) (78667 -100000) (-68444 36444) (-47556 -11556) (56000 -58222) (-26667 9333) (-68444 9333) (38222 -26667) (-11556 71556) (56000 -79111) (-79111 27111) (99556 -79111) (-100000 27111) (78667 -57333) (38222 -47556) (-889 7111) (-47556 71556) (-47556 30222) (-29778 40444) (20000 -58222) (-25778 -16444) (-29778 60889))
STRUCTURE-BONDS ((14 1 1) (11 13 1 :DOWN) (11 7 1) (11 6 1) (8 4 1) (6 8 1) (4 10 1) (4 5 2) (4 9 1) (1 3 2) (1 12 1) (15 16 1) (16 17 1) (17 18 1) (18 19 1) (19 20 1) (16 21 2) (20 14 1) (19 22 1 :DOWN) (1 2 1) (2 7 1) (22 23 1) (23 24 1) (23 25 2)) ((26 21 2) (26 13 1) (25 1 1) (24 19 1) (23 26 1) (22 23 1) (22 5 1) (19 12 1) (19 9 1) (15 7 1) (15 17 2) (14 4 1) (12 2 1) (11 15 1) (9 14 1) (8 25 1) (5 11 1) (5 10 1) (5 8 1) (4 18 1) (4 6 2) (4 16 1) (1 2 1) (1 3 2) (1 20 1))
STRUCTURE-ATOMS (P O O P O C C O O O C O O O R1 C O C C C O O C R2 O) (P O O P C O R C C H O C R O C O O O C O O C O O O C)
L-PHOSPHATIDATE a 1,2-diacylglycerol-3-phosphate ATOM-CHARGES ((15 -1) (13 -1)) NIL
STRUCTURE-BONDS ((1 2 1) (2 3 1) (3 4 1 :DOWN) (3 5 1) (4 6 1) (6 16 1) (6 7 2) (1 8 1) (8 9 1) (8 10 2) (5 11 1) (11 12 1) (12 13 1) (12 14 2) (12 15 1)) ((1 2 1) (2 3 1) (3 4 1 :UP) (3 5 1) (4 6 1) (6 16 1) (6 7 2) (1 8 1) (8 9 1) (8 10 2) (5 11 1) (11 12 1) (12 13 1) (12 14 2) (12 15 1))
PHOSPHATIDYLCHOLINE a phosphatidylcholine ATOM-CHARGES ((12 -1) (9 1)) ((9 1))
DISPLAY-COORDS-2D ((24676 -32926) (-41312 -4057) (41176 -32926) (-16843 -18764) (12166 -25779) (-21102 -25779) (3916 -34165) (-8593 -18764) (32926 -32926) (-29075 -11481) (-4329 -25779) (3916 -17529) (-28803 3094) (-20829 -11481) (3916 -25779) (-29352 -25779) (20416 -25779) (32926 -24676) (-33339 -18355) (-33062 -4057) (-33611 -32649) (32926 -41312)) ((5973 -7970) (-10000 -982) (9967 -7970) (-4077 -4542) (2945 -6240) (-5108 -6240) (948 -8270) (-2080 -4542) (7970 -7970) (-7038 -2779) (-1048 -6240) (948 -4243) (-6972 749) (-5042 -2779) (948 -6240) (-7105 -6240) (4942 -6240) (7970 -5973) (-8070 -4443) (-8003 -982) (-8136 -7903) (7970 -10000))
STRUCTURE-BONDS ((22 9 1) (21 16 2) (19 16 1) (18 9 1) (17 5 1) (17 1 1) (14 4 1) (14 10 1) (13 20 1) (12 15 1) (11 15 1) (11 8 1) (10 20 1) (8 4 1) (7 15 2) (4 6 1 :UP) (6 16 1) (5 15 1) (3 9 1) (2 20 2) (1 9 1)) ((22 9 1) (21 16 2) (19 16 1) (18 9 1) (17 5 1) (17 1 1) (14 4 1) (14 10 1) (13 20 1) (12 15 1) (11 15 1) (11 8 1) (10 20 1) (8 4 1) (7 15 2) (6 4 1) (6 16 1) (5 15 1) (3 9 1) (2 20 2) (1 9 1))
STRUCTURE-ATOMS (C O C C O O O C N O O O R1 C P C C C R2 C O C) (C O C C O O O C N O O O R2 C P C C C R1 C O C)
CPD-177 a 1-phosphatidyl-1D-myo-inositol 3-phosphate ATOM-CHARGES ((11 -1) (10 -1)) NIL
DISPLAY-COORDS-2D ((8633 0) (9046 -2143) (840 -3667) (5332 -2033) (3078 -383) (1650 -1208) (4507 -1208) (3078 -3683) (0 -2852) (840 -2018) (5332 -3683) (9870 -714) (9046 -3572) (7807 -1429) (6570 -2143) (8633 -1429) (6157 -2858) (7807 -2858) (1650 -2858) (4507 -2858) (9046 -714) (8633 -2858) (7395 -2143) (3078 -1208) (2364 -1620) (3793 -1620) (3078 -2858) (2364 -2446) (3793 -2446) (825 -2843) (5332 -2858)) ((14650 0) (15350 -3637) (1426 -6223) (9049 -3450) (5224 -650) (2800 -2050) (7649 -2050) (5224 -6250) (0 -4840) (1426 -3424) (9049 -6250) (16750 -1212) (15350 -6062) (13249 -2425) (11149 -3637) (14650 -2425) (10449 -4850) (13249 -4850) (2800 -4850) (7649 -4850) (15350 -1212) (14650 -4850) (12549 -3637) (5224 -2050) (4012 -2750) (6437 -2750) (5224 -4850) (4012 -4150) (6437 -4150) (1400 -4824) (9049 -4850))
1-Lysophosphatidates a 1-lysophosphatidate DISPLAY-COORDS-2D ((0 -19517) (42776 -2870) (39847 -14290) (7142 -31892) (21432 -31892) (28580 -19517) (28580 -36017) (31597 0) (28580 -11267) (14290 -19517) (7142 -23642) (21432 -23642) (35722 -7142)) ((0 -19517) (42776 -2870) (39847 -14290) (7142 -31892) (21432 -31892) (28580 -19517) (28580 -36017) (31597 0) (28580 -11267) (14290 -19517) (7142 -23642) (21432 -23642) (35722 -7142) (23347 0))
STRUCTURE-BONDS ((10 12 1) (10 11 1) (9 13 1) (8 13 1) (6 12 1) (6 9 1) (5 12 1) (5 7 1) (4 11 1) (3 13 1) (2 13 2) (1 11 2)) ((10 12 1) (10 11 1) (9 13 1) (8 13 1) (6 12 1) (6 9 1) (5 12 1) (5 7 1) (4 11 1) (14 8 1) (3 13 1) (2 13 2) (1 11 2))
STRUCTURE-ATOMS (O O O R1 C C O O O O C C P) (O O O R1 C C O O O O C C P R2)
2-Acylglycero-Phosphocholines a 1-lyso-2-acyl-sn-glycero-3-phosphocholine ATOM-CHARGES ((11 -1) (8 1)) ((8 1))
STRUCTURE-BONDS ((19 8 1) (18 14 2) (17 14 1) (16 8 1) (15 4 1) (15 1 1) (12 3 1) (12 9 1) (11 13 1) (10 13 1) (10 7 1) (7 3 1) (6 13 2) (3 5 1 :UP) (5 14 1) (4 13 1) (2 8 1) (1 8 1)) ((19 8 1) (18 14 2) (17 14 1) (16 8 1) (15 4 1) (15 1 1) (12 3 1) (12 9 1) (11 13 1) (10 13 1) (10 7 1) (7 3 1) (6 13 2) (5 3 1) (5 14 1) (4 13 1) (2 8 1) (1 8 1))
STRUCTURE-ATOMS (C C C O O O C N O O O C P C C C R2 O C) (C C C O O O C N O O O C P C C C R1 O C)
ACYL-SN-GLYCEROL-3P a 1-acyl-sn-glycerol-3-phosphate ATOM-CHARGES ((5 -1) (4 -1)) NIL
DISPLAY-COORDS-2D ((714 0) (2970 -3298) (3573 -826) (2133 -4145) (1317 -3298) (0 -1235) (2143 -826) (2858 -2062) (1429 -1235) (2143 -2470) (714 -826) (2858 -1235) (2143 -3298)) ((1210 0) (5031 -5584) (6051 -1400) (3613 -7019) (2230 -5584) (0 -2092) (3630 -1400) (4841 -3492) (2420 -2092) (3630 -4184) (1210 -1400) (4841 -2092) (3630 -5584))
STRUCTURE-BONDS ((10 13 1) (9 11 1) (8 12 1) (8 10 1) (7 12 1) (7 9 1) (6 11 1) (5 13 1) (4 13 1) (12 3 1 :DOWN) (2 13 2) (1 11 2)) ((10 13 1) (9 11 1) (8 12 1) (8 10 1) (7 12 1) (7 9 1) (6 11 1) (5 13 1) (4 13 1) (12 3 1 :UP) (2 13 2) (1 11 2))
Polyisoprenyl-Monophosphates a polyisoprenyl monophosphate STRUCTURE-ATOMS (O R1 P O O O) (O P O O O)
Factor-420 cofactor F420 ATOM-CHARGES (35 -1) NIL
DISPLAY-COORDS-2D ((7036 4252) (7036 3427) (5607 4252) (5607 3427) (4893 4665) (4893 3015) (4178 3427) (4178 4252) (8465 4252) (7751 4665) (7751 3015) (7751 2190) (9180 4665) (8465 3427) (6322 4665) (6322 5490) (7036 5902) (7036 6727) (7751 5490) (7751 7140) (6322 7140) (7751 7965) (8465 6727) (8465 8377) (3464 4665) (6322 3015) (9184 8378) (9899 8374) (10613 7962) (11328 8374) (12042 7961) (11328 9199) (10613 7137) (9184 7553) (9184 9174)) ((-284130 -43340) (-284130 39670) (-213040 -84390) (-141030 39670) (-68510 81340) (-69080 -85530) (-141030 -43340) (2180 41380) (77570 81610) (150570 39350) (149420 -45400) (75850 -87000) (3430 -43860) (-212090 80790) (77650 -169090) (221970 79860) (-71850 215890) (-72510 297820) (-72510 379910) (-72510 462010) (10250 216310) (9570 297990) (9570 379910) (-1420 503050) (80270 503050) (162360 503050) (80270 420960) (79860 585160) (368080 524850) (-355130 80900) (232460 379470) (-141830 157350) (233070 461540) (233070 543640) (311870 461290) (369910 403240))
STRUCTURE-BONDS ((15 3 1) (15 1 1) (4 26 1) (26 2 2) (10 1 2) (2 1 1) (2 11 1) (10 9 1) (11 14 1) (14 9 1) (5 3 2) (3 4 1) (6 4 2) (5 8 1) (8 7 2) (7 6 1) (9 13 2) (11 12 2) (15 16 1) (16 17 1) (17 18 1) (17 19 1 :DOWN) (18 20 1) (18 21 1 :UP) (20 22 1) (20 23 1 :DOWN) (22 24 1) (8 25 1) (24 27 1) (27 28 1) (28 29 1) (29 30 1) (30 31 1) (30 32 2) (29 33 1 :UP) (27 34 2) (27 35 1)) ((35 36 1) (33 34 1 :UP) (1 3 2) (2 1 1) (14 2 2) (3 7 1) (4 7 2) (5 4 1) (8 5 1) (6 13 2) (7 6 1) (13 8 1) (8 9 2) (9 10 1) (10 11 1) (11 12 1) (12 13 1) (4 14 1) (12 15 2) (10 16 2) (17 18 1) (18 19 1) (19 20 1) (17 21 1) (18 22 1) (19 23 1) (20 24 1) (25 24 1) (25 26 1) (25 27 2) (25 28 1) (26 33 1) (33 35 1) (35 29 2) (2 30 1) (33 31 1 :UP) (5 32 1) (32 17 1))
STRUCTURE-ATOMS (C C C C C C C C C N C O O N N C C C O C O C O O O C P O C C R O C O O) (C C C C N C C C N C N C C C O O C C C C O O O O P O O O O O C C C H C R1)
Reduced-Factor-F420 a reduced cofactor F420 ATOM-CHARGES (35 -1) NIL
DISPLAY-COORDS-2D ((7036 4252) (7036 3427) (5607 4252) (5607 3427) (4893 4665) (4893 3015) (4178 3427) (4178 4252) (8465 4252) (7751 4665) (7751 3015) (7751 2190) (9180 4665) (8465 3427) (6322 4665) (6322 5490) (7036 5902) (7036 6727) (7751 5490) (7751 7140) (6322 7140) (7751 7965) (8465 6727) (8465 8377) (3464 4665) (6322 3015) (9184 8378) (9899 8374) (10613 7962) (11328 8374) (12042 7961) (11328 9199) (10613 7137) (9184 7553) (9184 9174)) ((-284130 -43340) (-284130 39670) (-213040 -84390) (-141030 39670) (-68510 81340) (-69080 -85530) (-141030 -43340) (2180 41380) (77570 81610) (150570 39350) (149420 -45400) (75850 -87000) (3430 -43860) (-212090 80790) (77650 -169090) (221970 79860) (-71850 215890) (-72510 297820) (-72510 379910) (-72510 462010) (10250 216310) (9570 297990) (9570 379910) (-1420 503050) (80270 503050) (162360 503050) (80270 420960) (79860 585160) (368080 524850) (-355130 80900) (232460 379470) (-141830 157350) (233070 461540) (233070 543640) (311870 461290) (369910 403240))
STRUCTURE-BONDS ((15 3 1) (15 1 1) (4 26 1) (26 2 1) (10 1 1) (2 1 2) (2 11 1) (10 9 1) (11 14 1) (14 9 1) (5 3 1) (3 4 2) (6 4 1) (5 8 2) (8 7 1) (7 6 2) (9 13 2) (11 12 2) (15 16 1) (16 17 1) (17 18 1) (17 19 1 :DOWN) (18 20 1) (18 21 1 :UP) (20 22 1) (20 23 1 :DOWN) (22 24 1) (8 25 1) (24 27 1) (27 28 1) (28 29 1) (29 30 1) (30 31 1) (30 32 2) (29 33 1 :UP) (27 34 2) (27 35 1)) ((32 17 1) (5 32 1) (33 31 1 :UP) (2 30 1) (35 29 2) (33 35 1) (26 33 1) (25 28 1) (25 27 2) (25 26 1) (25 24 1) (20 24 1) (19 23 1) (18 22 1) (17 21 1) (19 20 1) (18 19 1) (17 18 1) (10 16 2) (12 15 2) (4 14 1) (12 13 1) (11 12 1) (10 11 1) (9 10 1) (8 9 1) (13 8 2) (7 6 1) (6 13 1) (8 5 1) (5 4 1) (7 4 2) (3 7 1) (14 2 2) (2 1 1) (1 3 2) (33 34 1 :UP) (35 36 1))
STRUCTURE-ATOMS (C C C C C C C C C N C O O N N C C C O C O C O O O C P O C C R O C O O) (C C C C N C C C N C N C C C O O C C C C O O O O P O O O O O C C C H C R1)
Oxidized-Factor-F420 an oxidized factor F420 ATOM-CHARGES (35 -1) NIL
DISPLAY-COORDS-2D ((7036 4252) (7036 3427) (5607 4252) (5607 3427) (4893 4665) (4893 3015) (4178 3427) (4178 4252) (8465 4252) (7751 4665) (7751 3015) (7751 2190) (9180 4665) (8465 3427) (6322 4665) (6322 5490) (7036 5902) (7036 6727) (7751 5490) (7751 7140) (6322 7140) (7751 7965) (8465 6727) (8465 8377) (3464 4665) (6322 3015) (9184 8378) (9899 8374) (10613 7962) (11328 8374) (12042 7961) (11328 9199) (10613 7137) (9184 7553) (9184 9174)) ((-284130 -43340) (-284130 39670) (-213040 -84390) (-141030 39670) (-68510 81340) (-69080 -85530) (-141030 -43340) (2180 41380) (77570 81610) (150570 39350) (149420 -45400) (75850 -87000) (3430 -43860) (-212090 80790) (77650 -169090) (221970 79860) (-71850 215890) (-72510 297820) (-72510 379910) (-72510 462010) (10250 216310) (9570 297990) (9570 379910) (-1420 503050) (80270 503050) (162360 503050) (80270 420960) (79860 585160) (368080 524850) (-355130 80900) (232460 379470) (-141830 157350) (233070 461540) (233070 543640) (311870 461290) (369910 403240))
STRUCTURE-BONDS ((15 3 1) (15 1 1) (4 26 1) (26 2 2) (10 1 2) (2 1 1) (2 11 1) (10 9 1) (11 14 1) (14 9 1) (5 3 1) (3 4 2) (6 4 1) (5 8 2) (8 7 1) (7 6 2) (9 13 2) (11 12 2) (15 16 1) (16 17 1) (17 18 1) (17 19 1 :DOWN) (18 20 1) (18 21 1 :UP) (20 22 1) (20 23 1 :DOWN) (22 24 1) (8 25 1) (24 27 1) (27 28 1) (28 29 1) (29 30 1) (30 31 1) (30 32 2) (29 33 1 :UP) (27 34 2) (27 35 1)) ((35 36 1) (33 34 1 :UP) (1 3 2) (2 1 1) (14 2 2) (3 7 1) (4 7 2) (5 4 1) (8 5 1) (6 13 2) (7 6 1) (13 8 1) (8 9 2) (9 10 1) (10 11 1) (11 12 1) (12 13 1) (4 14 1) (12 15 2) (10 16 2) (17 18 1) (18 19 1) (19 20 1) (17 21 1) (18 22 1) (19 23 1) (20 24 1) (25 24 1) (25 26 1) (25 27 2) (25 28 1) (26 33 1) (33 35 1) (35 29 2) (2 30 1) (33 31 1 :UP) (5 32 1) (32 17 1))
STRUCTURE-ATOMS (C C C C C C C C C N C O O N N C C C O C O C O O O C P O C C R O C O O) (C C C C N C C C N C N C C C O O C C C C O O O O P O O O O O C C C H C R1)
Iodides an iodide STRUCTURE-ATOMS (R I) (I)
Bromide a bromide STRUCTURE-ATOMS (R BR) (BR)
Aliphatic-Amines an aliphatic amine ATOM-CHARGES (3 1) NIL
DISPLAY-COORDS-2D ((-3294 -2093) (-2579 -1680) (-1864 -2093)) ((-3293 -2092) (-2578 -1680) (-1864 -2092))
Primary-Amines a primary amine DISPLAY-COORDS-2D ((1294 -3477) (9544 -3477) (9544 4773) (17794 -3477)) ((1294 -3477) (9544 -3477) (9544 -11727) (9544 4773) (17794 -3477))
STRUCTURE-BONDS ((1 2 1) (2 3 1) (2 4 1)) ((1 2 1) (2 3 1) (2 4 1) (2 5 1))
STRUCTURE-ATOMS (R N H H) (R C N H H)
10 Compounds have differences in slot N+1-NAME between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
PROTEIN-N-UBIQUITYL-LYSINE a protein-N-ubiquityl-lysine protein N-ubiquityl(n+1)lysine NIL
Fatty-Acyl-CoA a long-chain acyl-CoA a long-chain acyln+2-CoA fatty acyln+2-CoA
14-BETA-D-XYLANS a (1->4)-β-D-xylan [(1->4)-β-D-xylan](n+1) 1,4-β-D-xylan(n+1)
Chitosan chitosan [β-(1-4)-D-glucosamine](n+1)-[N-acetyl-D-glucosemaine]m NIL
CPD-1790 a maltodextrin maltodextrin(n-1) NIL
1-4-alpha-D-galacturonosyl a homogalacturonan (1,4-α-D-galacturonosyl)(n+m) (1,4-α-D-galacturonosyl)(n+1)
Chondroitin-sulfates chondroitin sulfate [chondroitin sulfate disaccharide](n+1) NIL
Beta-D-Fructofuranosides a β-D-fructofuranoside β-D-fructofuranose(n+1) NIL
All-Folates a folate a folylpolyglutamate(n+1) NIL
Intracellular-Sulfur intracellular S0 intracellular S0n+1 NIL
10 Compounds have differences in slot N-1-NAME between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
PROTEIN-N-UBIQUITYL-LYSINE a protein-N-ubiquityl-lysine protein N-ubiquityl(n-1)lysine NIL
Fatty-Acyl-CoA a long-chain acyl-CoA a long-chain acyln-2-CoA fatty acyln-2-CoA
14-BETA-D-XYLANS a (1->4)-β-D-xylan [(1->4)-β-D-xylan](n-1) 1,4-β-D-xylan(n-1)
Chitosan chitosan [β-(1-4)-D-glucosamine](n-1)-[N-acetyl-D-glucosemaine]m NIL
CPD-1790 a maltodextrin maltodextrin(n+m-1) NIL
1-4-alpha-D-galacturonosyl a homogalacturonan (1,4-α-D-galacturonosyl)(m) NIL
Chondroitin-sulfates chondroitin sulfate [chondroitin sulfate disaccharide](n-1) NIL
Beta-D-Fructofuranosides a β-D-fructofuranoside β-D-fructofuranose(n-1) NIL
All-Folates a folate a folylpolyglutamate(n-1) NIL
Intracellular-Sulfur intracellular S0 intracellular S0n-1 Sn-1
11 Compounds have differences in slot N-NAME between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
TRANS-POLYISOPRENYL-PP an all-trans-polyisoprenyl diphosphate trans-polyisoprenyln-PP NIL
CIS-TRANS-POLYISOPRENYL-PP a cis,trans-polyisoprenyl diphosphate cis,trans-polyisoprenyln-PP NIL
PROTEIN-N-UBIQUITYL-LYSINE a protein-N-ubiquityl-lysine protein N-ubiquityl(n)lysine NIL
Fatty-Acyl-CoA a long-chain acyl-CoA a long-chain acyln-CoA fatty acyln-CoA
14-BETA-D-XYLANS a (1->4)-β-D-xylan [(1->4)-β-D-xylan](n) 1,4-β-D-xylann
Chitosan chitosan [β-(1-4)-D-glucosamine]n-[N-acetyl-D-glucosemaine]m NIL
CPD-1790 a maltodextrin maltodextrin(n) NIL
Chondroitin-sulfates chondroitin sulfate [chondroitin sulfate disaccharide](n) NIL
Beta-D-Fructofuranosides a β-D-fructofuranoside β-D-fructofuranose(n) NIL
All-Folates a folate a folylpolyglutamate(n) NIL
Intracellular-Sulfur intracellular S0 intracellular S0n Sn
2 Compounds have differences in slot OVERVIEW-NODE-SHAPE between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
UDP-GLUCURONATE UDP-D-glucuronate ELLIPSE-HORIZ NIL
UDP-GALACTOSE UDP-D-galactose ELLIPSE-HORIZ NIL
2 Compounds have differences in slot SYSTEMATIC-NAME between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
5-OXOPROLINE 5-oxoproline L-pyroglutamic acid NIL
CPD-1083 2-methyl-crotonyl-CoA Coenzyme A, S-(2-methyl-2-butenoate), (E)- NIL
22 Compounds have differences in slot ABBREV-NAME between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
L-ASPARTATE L-aspartate asp NIL
PYRIDOXAL_PHOSPHATE pyridoxal 5'-phosphate pyridoxal-P NIL
UMP uridine-5'-phosphate UMP NIL
PRO L-proline pro NIL
L-ALPHA-ALANINE L-alanine ala NIL
VAL L-valine val NIL
LEU L-leucine leu NIL
ILE L-isoleucine ile NIL
PHE L-phenylalanine phe NIL
MET L-methionine met NIL
CYS L-cysteine cys NIL
TRP L-tryptophan trp NIL
GLY glycine gly NIL
GLT L-glutamate glt NIL
TYR L-tyrosine tyr NIL
ASN L-asparagine asn NIL
GLN L-glutamine gln NIL
SER L-serine ser NIL
THR L-threonine thr NIL
ARG L-arginine arg NIL
LYS L-lysine lys NIL
HIS L-histidine his NIL
13 Compounds have differences in slot CITATIONS between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
Pyrophosphate-inositol-phosphates a pyrophosphate-containing inositol phosphate ("9822604" "10777568") NIL
Lambda-Carrageenan λ-carrageenan 15797130 NIL
DOLICHOL a dolichol NIL 9878760
CPD-558 pimeloyl-CoA SANYAL94 NIL
CPD-1086 5-amino-6-(5-phospho-D-ribitylamino)uracil ("11889103" "18245297") NIL
CPD-7670 dimethylsulfide CHARLSON87 NIL
OXOPENTENOATE 2-oxopentenoate 10382261 NIL
CPD-13172 HCC NIL 20177744
CPD-13175 benzyl-HCH NIL 20177744
CPD-13173 salicortin NIL 20177744
CPD-13174 salicyl-HCH NIL 20177744
CPD-10642 dammara-18(28),21-diene NIL 18790509
CPD-734 (-)-jasmonate NIL 8074303
258 Compounds have differences in slot COMMON-NAME between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE 5-amino-6-(D-ribitylamino)uracil 5-amino-6-(D-ribitylamino)uracil 5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione
3-5-ADP adenosine 3',5'-bisphosphate adenosine 3',5'-bisphosphate adenosine-3',5'-bisphosphate
INDOLE-3-ACETYL-LEU indole-3-acetyl-leucine indole-3-acetyl-leucine indole-3-acetyl-leu
INDOLE-3-ACETYL-ALA indole-3-acetyl-alanine indole-3-acetyl-alanine indole-3-acetyl-ala
SACCHAROPINE L-saccharopine L-saccharopine saccharopine
DIAMINONONANOATE 7,8-diaminopelargonate 7,8-diaminopelargonate 7,8-diaminononanoate
8-AMINO-7-OXONONANOATE 7-keto-8-aminopelargonate 7-keto-8-aminopelargonate 8-amino-7-oxononanoate
DEAMIDO-NAD nicotinate adenine dinucleotide nicotinate adenine dinucleotide deamido-NAD
POLYNEURIDINE-ALDEHYDE polyneuridine aldehyde polyneuridine aldehyde Polyneuridine aldehyde
CPD-6082 3-aminopropanal 3-aminopropanal 3-aminopropionaldehyde
CPD-4209 N6-dimethylallyladenine N6-dimethylallyladenine isopentenyladenine
P-AMINO-BENZOATE p-aminobenzoate p-aminobenzoate p-aminobenzoate
DIHYDROPTERIN-CH2OH-PP 6-hydroxymethyl-dihydropterin diphosphate 6-hydroxymethyl-dihydropterin diphosphate 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate
3-DEHYDRO-SHIKIMATE 3-dehydroshikimate 3-dehydroshikimate 3-dehydro-shikimate
2K-ADIPATE 2-oxoadipate 2-oxoadipate α-ketoadipate
CPD-4615 dihydrozeatin-7-N-glucose dihydrozeatin-7-N-glucose dihydrozeatin-7-N-dihydrozeatin
CIS-ACONITATE cis-aconitate cis-aconitate cis-aconitate
CONIFERYL-ALDEHYDE coniferaldehyde coniferaldehyde coniferyl aldehyde
5-HYDROXY-FERULIC-ACID 5-hydroxyferulate 5-hydroxyferulate 5-hydroxy-ferulic-acid
D-6-P-GLUCONO-DELTA-LACTONE 6-phospho-D-glucono-1,5-lactone 6-phospho-D-glucono-1,5-lactone D-glucono-δ-lactone-6-phosphate
AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE 6-hydroxymethyl-7,8-dihydropterin 6-hydroxymethyl-7,8-dihydropterin 6-hydroxymethyl-dihydropterin
DIHYDRO-NEO-PTERIN 7,8-dihydro-D-neopterin 7,8-dihydro-D-neopterin dihydro-neo-pterin
2-KETO-ISOVALERATE 2-oxoisovalerate 2-oxoisovalerate 2-keto-isovalerate
CPD-560 S-methyl-5-thio-D-ribose S-methyl-5-thio-D-ribose 5-methylthioribose
DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR 2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one 2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one 2,5-diamino-6-(ribosylamino)-4-(3H)-pyrimidinone 5'-phosphate
DIHYDROXY-BUTANONE-P 1-deoxy-L-glycero-tetrulose 4-phosphate 1-deoxy-L-glycero-tetrulose 4-phosphate 3,4-dihydroxy-2-butanone-4-P
CARBON-MONOXIDE carbon monoxide carbon monoxide CO
IMINOASPARTATE α-iminosuccinate α-iminosuccinate iminoaspartate
DIHYDRONEOPTERIN-P 7,8-dihydroneopterin phosphate 7,8-dihydroneopterin phosphate dihydroneopterin phosphate
CPD-7064 primary fluorescent chlorophyll catabolite primary fluorescent chlorophyll catabolite pFCC
CPD-1091 S-(-)-ureidoglycolate S-(-)-ureidoglycolate (S)-ureidoglycolate
12-BIS-O-SINAPOYL-BETA-D-GLUCOSIDE 1,2-di-O-sinapoyl-β-D-glucose 1,2-di-O-sinapoyl-β-D-glucose 1,2-bis-O-sinapoyl-β-D-glucoside
CPD-558 pimeloyl-CoA pimeloyl-CoA 6-carboxyhexanoyl-CoA
3-HYDROXY-PROPIONATE 3-hydroxypropionate 3-hydroxypropionate 3-hydroxy-propionate
2K-4CH3-PENTANOATE 4-methyl-2-oxopentanoate 4-methyl-2-oxopentanoate 2-ketoisocaproate
CPD-6972 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA o-succinylbenzoyl-CoA
BISOHMYR-GLUCOSAMINYL-1P 2,3-bis[(3R)-3-hydroxymyristoyl]-β-D-glucosaminyl 1-phosphate 2,3-bis[(3R)-3-hydroxymyristoyl]-β-D-glucosaminyl 1-phosphate 2,3-bis(3-hydroxymyristoyl)-β-D-glucosaminyl 1-phosphate
DI-H-OROTATE (S)-dihydroorotate (S)-dihydroorotate dihydroorotate
CAFFEOYLQUINATE trans-5-O-caffeoyl-D-quinate trans-5-O-caffeoyl-D-quinate caffeoylquinate
4-COUMAROYLQUINATE trans-5-O-(4-coumaroyl)-D-quinate trans-5-O-(4-coumaroyl)-D-quinate 4-coumaroylquinate
QUINATE L-quinate L-quinate quinate
CPD-7100 (2S)-2-isopropyl-3-oxosuccinate (2S)-2-isopropyl-3-oxosuccinate 2-isopropyl-3-oxosuccinate
2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE (2R,3S)-3-isopropylmalate (2R,3S)-3-isopropylmalate 3-isopropylmalate
L-CITRULLINE L-citrulline L-citrulline citrulline
CPD-499 mevalonate-5-phosphate mevalonate-5-phosphate mevalonate-5P
CPD-313 propane-1,3-diamine propane-1,3-diamine 1,3-diaminopropane
CPD-85 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one 1,2-dihydroxy-3-keto-5-methylthiopentene
GERANYL-PP geranyl diphosphate geranyl diphosphate geranyl-diphosphate
PANTETHEINE-P 4'-phosphopantetheine 4'-phosphopantetheine pantetheine 4'-phosphate
4-PHOSPHONOOXY-THREONINE 4-phospho-hydroxy-L-threonine 4-phospho-hydroxy-L-threonine 4-(phosphonooxy)-threonine
3-CARBOXY-3-HYDROXY-ISOCAPROATE (2S)-2-isopropylmalate (2S)-2-isopropylmalate 2-isopropylmalate
PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate 4-carboxyaminoimidazole ribonucleotide
CPD-9451 2-isopropylmaleate 2-isopropylmaleate isopropylmaleate
CPD-602 5-amino-6-(5-phospho-D-ribosylamino)uracil 5-amino-6-(5-phospho-D-ribosylamino)uracil 5-amino-6-(5'-phosphoribosylamino)uracil
CPD-1086 5-amino-6-(5-phospho-D-ribitylamino)uracil 5-amino-6-(5-phospho-D-ribitylamino)uracil 5-amino-6-(5'-phosphoribitylamino)uracil
CPD-459 trans-β-D-Glucosyl-2-hydroxycinnamate trans-β-D-Glucosyl-2-hydroxycinnamate trans-β-D-Glucosyl-2-hydroxycinnamate
CPD-8847 but-1-en-3-one but-1-en-3-one but-3-en-2-one
2-KETOGLUTARATE 2-oxoglutarate 2-oxoglutarate 2-ketoglutarate
PANTOTHENATE (R)-pantothenate (R)-pantothenate pantothenate
L-PANTOATE (R)-pantoate (R)-pantoate L-pantoate
NICOTINATE_NUCLEOTIDE nicotinate mononucleotide nicotinate mononucleotide nicotinate nucleotide
CPD-4205 N6-(Δ2-isopentenyl)-adenosine 5'-monophosphate N6-(Δ2-isopentenyl)-adenosine 5'-monophosphate isopentenyladenosine-5'-monophosphate
CPD-4211 dimethylallyl diphosphate dimethylallyl diphosphate dimethylallyl-diphosphate
DIHYDROXY-ACETONE-PHOSPHATE dihydroxyacetone phosphate dihydroxyacetone phosphate dihydroxy-acetone-phosphate
CPD-468 2-aminoadipate 2-aminoadipate α-aminoadipate
HYDROGEN-PEROXIDE hydrogen peroxide hydrogen peroxide H2O2
CANAVANINE L-canavanine L-canavanine canavanine
ENT-KAUR-16-EN-19-AL ent-kaurenal ent-kaurenal ent-kaur-16-en-19-al
ENT-KAUR-16-EN-19-OL ent-kaurenol ent-kaurenol ent-kaur-16-en-19-ol
CPD-520 quercetin quercetin a quercetin
CPD-641 mevalonate-diphosphate mevalonate-diphosphate mevalonate-5-PP
2-ACETO-2-HYDROXY-BUTYRATE 2-aceto-2-hydroxy-butanoate 2-aceto-2-hydroxy-butanoate 2-aceto-2-hydroxy-butyrate
2-ACETO-LACTATE (S)-2-acetolactate (S)-2-acetolactate 2-acetolactate
L-CYSTATHIONINE L-cystathionine L-cystathionine cystathionine
CPD-4201 N6-(Δ2-isopentenyl)-adenosine 5'-triphosphate N6-(Δ2-isopentenyl)-adenosine 5'-triphosphate isopentenyladenosine-5'-triphosphate
CPD-4203 N6-(Δ2-isopentenyl)-adenosine 5'-diphosphate N6-(Δ2-isopentenyl)-adenosine 5'-diphosphate isopentenyladenosine-5'-diphosphate
DIHYDRONEOPTERIN-P3 7,8-dihydroneopterin triphosphate 7,8-dihydroneopterin triphosphate 7,8-dihydroneopterin 3'-triphosphate
THZ-P 4-methyl-5-(2-phosphonooxyethyl)thiazole 4-methyl-5-(2-phosphonooxyethyl)thiazole 4-methyl-5-(β-hydroxyethyl)thiazole phosphate
CPD-7618 geranate geranate nerolate
THREO-DS-ISO-CITRATE D-threo-isocitrate D-threo-isocitrate D-isocitrate
D-LACTATE (R)-lactate (R)-lactate D-lactate
L-LACTATE (S)-lactate (S)-lactate lactate
12-OXO-TRANS-10-DODECENOATE traumatin traumatin 12-oxo-trans-10-dodecenoate
CPD-725 13(S)-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoate 13(S)-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoate 13(S)-hydroperoxylinolenate
LINOLENIC_ACID α-linolenate α-linolenate linolenate
13-HYDROPEROXYOCTADECA-911-DIENOATE (9Z,11E)-(13S)-13-hydroperoxyoctadeca-9,11-dienoate (9Z,11E)-(13S)-13-hydroperoxyoctadeca-9,11-dienoate 13-HPOD
BUTYRIC_ACID 2-butanoate 2-butanoate butyrate
18-OXOOLEATE 18-oxo-oleate 18-oxo-oleate 18-oxooleate
MAL (S)-malate (S)-malate malate
OCTADEC-9-ENE-118-DIOIC-ACID octadecenedioate octadecenedioate octadec-9-ene-1,18-dioic-acid
P-HYDROXY-PHENYLPYRUVATE 4-hydroxyphenylpyruvate 4-hydroxyphenylpyruvate p-hydroxyphenylpyruvate
CHLOROPHYLL-A chlorophyll a chlorophyll a chlorophyll a
CHLOROPHYLLIDE-A chlorophyllide a chlorophyllide a chlorophyllide a
MG-PROTOPORPHYRIN-MONOMETHYL-ESTER magnesium-protoporphyrin IX 13-monomethyl ester magnesium-protoporphyrin IX 13-monomethyl ester Mg-protoporphyrin monomethyl ester
CPD-7014 chlorophyllide b chlorophyllide b chlorophyllide b
2-PG 2-phospho-D-glycerate 2-phospho-D-glycerate 2-phosphoglycerate
GLYCERATE D-glycerate D-glycerate glycerate
DPG 1,3-bisphospho-D-glycerate 1,3-bisphospho-D-glycerate 1,3-diphosphateglycerate
G3P 3-phospho-D-glycerate 3-phospho-D-glycerate 3-phosphoglycerate
CPD-7063 red chlorophyll catabolite red chlorophyll catabolite RCC
CH3-MALONATE-S-ALD (S)-methylmalonate-semialdehyde (S)-methylmalonate-semialdehyde methylmalonate-semialdehyde
PHENYL-PYRUVATE keto-phenylpyruvate keto-phenylpyruvate phenylpyruvate
AMMONIUM ammonium ammonium NH4+
SUPER-OXIDE superoxide superoxide O2-
NITRATE nitrate nitrate NO3-
HCO3 bicarbonate bicarbonate HCO3-
CPD-7158 3-demethylubiquinol-9 3-demethylubiquinol-9 3-demethylubiquinol-9
undecaprenyl all-trans-undecaprenyl group all-trans-undecaprenyl group undecaprenyl group
CARBOXYL-GROUP a carboxyl group a carboxyl group carboxyl-group
CIS-3-HEXENAL cis-3-hexenal cis-3-hexenal cis-3-hexenal
BUTANAL butanal butanal butyraldehyde
CPD-9896 3,4-dihydroxy-5-all-trans-nonaprenylbenzoate 3,4-dihydroxy-5-all-trans-nonaprenylbenzoate 3-nonaprenyl-4,5-dihydroxybenzoate
CPD-9898 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate 3-nonaprenyl-4-hydroxy-5-methoxybenzoate
INDOLE-3-GLYCEROL-P (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate indole-3-glycerol-phosphate
PHENYLETHYLAMINE 2-phenylethylamine 2-phenylethylamine phenylethylamine
CPD-9872 6-methoxy-5-methyl-2-all-trans-nonaprenyl-1,4-benzoquinol 6-methoxy-5-methyl-2-all-trans-nonaprenyl-1,4-benzoquinol 2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinol
CPD-9870 2-methoxy-6-all trans-nonaprenyl-2-methoxy-1,4-benzoquinol 2-methoxy-6-all trans-nonaprenyl-2-methoxy-1,4-benzoquinol 2-nonaprenyl-6-methoxy-1,4-benzoquinol
NICOTINE (S)-nicotine (S)-nicotine nicotine
1-O-SINAPOYL-BETA-D-GLUCOSE 1-O-sinapoyl-β-D-glucose 1-O-sinapoyl-β-D-glucose 1-O-sinapoyl-β-D-glucose
CPD-8098 cis-caffeate cis-caffeate cis-caffeate
CPD-7417 cis-coumarinic acid-β-D-glucoside cis-coumarinic acid-β-D-glucoside coumarinic acid-β-D-glucoside
CPD-1961 catechin catechin 2,3-trans-catechin
CPD-474 trans dihydroquercetin trans dihydroquercetin dihydroquercetin
CPD-8844 (3E)-4,8-dimethylnona-1,3,7-triene (3E)-4,8-dimethylnona-1,3,7-triene DMNT
CPD1F-128 ent-kaurene ent-kaurene ent-kaur-16-ene
PHYTYL-PYROPHOSPHATE phytyl diphosphate phytyl diphosphate phytyl-PP
CPD1F-134 gibberellin A9 gibberellin A9 GA9
CPD1F-137 gibberellin A4 gibberellin A4 GA4
CPD-204 gibberellin A8 gibberellin A8 GA8
CPD1F-139 gibberellin A1 gibberellin A1 GA1
CPD1F-140 gibberellin A20 gibberellin A20 GA20
CPD1F-95 gibberellin A12 gibberellin A12 GA12
FARNESYL-PP (2E,6E)-farnesyl diphosphate (2E,6E)-farnesyl diphosphate all-trans-farnesyl diphosphate
CPD-693 2-cis-abscisic acid 2-cis-abscisic acid (+)-abscisate
PHYTOENE all-trans-phytoene all-trans-phytoene phytoene
CPD1F-98 all-trans-ζ-carotene all-trans-ζ-carotene ζ-carotene
CPD1F-114 all-trans-lycopene all-trans-lycopene trans-lycopene
CPD-4887 (-)-α-terpineol (-)-α-terpineol (-)-(4S)-α-terpineol
CPD-8843 (3R,6E)-nerolidol (3R,6E)-nerolidol (E)-nerolidol
CPD-4893 sabinene sabinene (-)-(1S)-sabinene
CPD-4886 (-)-(4S)-limonene (-)-(4S)-limonene (-)-limonene
DIHYDROFOLATE 7,8-dihydrofolate monoglutamate 7,8-dihydrofolate monoglutamate 7,8-dihydrofolate
CPD-1301 tetrahydropteroyl tri-L-glutamate tetrahydropteroyl tri-L-glutamate tetrahydropteroyltri-L-glutamate
5-METHYL-THF 5-methyl-tetrahydrofolate 5-methyl-tetrahydrofolate 5-methyl-THF
10-FORMYL-THF 10-formyl-tetrahydrofolate 10-formyl-tetrahydrofolate N10-formyl-THF
5-FORMYL-THF 5-formyl-tetrahydrofolate 5-formyl-tetrahydrofolate N5-formyl-THF
METHYLENE-THF 5,10-methylenetetrahydropteroyl mono-L-glutamate 5,10-methylenetetrahydropteroyl mono-L-glutamate 5,10-methylene-THF
DI-H-URACIL 5,6-dihydrouracil 5,6-dihydrouracil dihydrouracil
PHOSPHORIBOSYL-AMP 1-(5-phospho-D-ribosyl)-AMP 1-(5-phospho-D-ribosyl)-AMP phosphoribosyl-AMP
GDP-D-GLUCOSE GDP-α-D-glucose GDP-α-D-glucose GDP-D-glucose
DTDP-D-GLUCOSE dTDP-α-D-glucose dTDP-α-D-glucose dTDP-D-glucose
ADP-D-GLUCOSE ADP-α-D-glucose ADP-α-D-glucose ADP-D-glucose
OH-MYRISTOYL UDP-2,3-bis[O-(3R)-3-hydroxymyristoyl]-α-D-glucosamine UDP-2,3-bis[O-(3R)-3-hydroxymyristoyl]-α-D-glucosamine UDP-2,3-bis(3-hydroxymyristoyl)glucosamine
UDP-SULFOQUINOVOSE UDP-α-D-sulfoquinovopyranose UDP-α-D-sulfoquinovopyranose UDP-sulfoquinovose
UDP-OHMYR-ACETYLGLUCOSAMINE UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine UDP-3-O-(3-hydroxymyristoyl)-N-acetylglucosamine
UDP-N-ACETYL-D-GLUCOSAMINE UDP-α-N-acetyl-D-glucosamine UDP-α-N-acetyl-D-glucosamine UDP-N-acetyl-D-glucosamine
UDP-GALACTOSE UDP-D-galactose UDP-D-galactose UDP-galactose
UDP-D-XYLOSE UDP-α-D-xylose UDP-α-D-xylose UDP-D-xylose
GDP-MANNOSE GDP-α-D-mannose GDP-α-D-mannose GDP-D-mannose
UMP uridine-5'-phosphate uridine-5'-phosphate UMP
PRPP 5-phospho-α-D-ribose 1-diphosphate 5-phospho-α-D-ribose 1-diphosphate 5-phosphoribosyl 1-pyrophosphate
RIBOSE-1P α-D-ribose-1-phosphate α-D-ribose-1-phosphate ribose-1-phosphate
CPDQT-4 α-L-galactose-1-phosphate α-L-galactose-1-phosphate L-galactose-1-phosphate
MANNOSE-1P α-D-mannose 1-phosphate α-D-mannose 1-phosphate D-mannose-1-phosphate
N-ACETYL-D-GLUCOSAMINE-1-P N-acetyl-α-D-glucosamine 1-phosphate N-acetyl-α-D-glucosamine 1-phosphate N-acetyl-glucosamine-1-phosphate
MANNOSE-6P D-mannose 6-phosphate D-mannose 6-phosphate D-mannose-6-phosphate
FRUCTOSE-6P D-fructose-6-phosphate D-fructose-6-phosphate fructose-6-phosphate
ALPHA-GLC-6-P α-D-glucose 6-phosphate α-D-glucose 6-phosphate α-D-glucose-6-phosphate
GLYCERALD D-glyceraldehyde D-glyceraldehyde glyceraldehyde
D-XYLULOSE D-xylulose D-xylulose xylulose
XYLOSE α-D-xylose α-D-xylose D-xylose
6G-KESTOTETRAOSE 6G-kestotriose 6G-kestotriose 6G-kestotriose
CPD-2281 6G,6-kestotetraose 6G,6-kestotetraose 6G,6-kestotetraose
CPD-12586 (2E,6E)-farnesyl methyl ester (2E,6E)-farnesyl methyl ester methyl (2-trans-6-trans)-farnesoate
GLC-D-LACTONE D-glucono-1,5-lactone D-glucono-1,5-lactone glucono-δ-lactone
CPD-8083 1-18:2-2-18:3-digalactosyldiacylglycerol 1-18:2-2-18:3-digalactosyldiacylglycerol 18:2-18:3-DGDG
CPD-8084 1-18:3-2-18:2-digalactosyldiacylglycerol 1-18:3-2-18:2-digalactosyldiacylglycerol 18:3-18:2-DGDG
CPD-8081 1-18:3-2-18:3-digalactosyldiacylglycerol 1-18:3-2-18:3-digalactosyldiacylglycerol 18:3-18:3-DGDG
CPD-8160 1-18:1-2-16:0-digalactosyldiacylglycerol 1-18:1-2-16:0-digalactosyldiacylglycerol 18:1-16:0-DGDG
CPD-8163 1-16:0-2-18:2-digalactosyldiacylglycerol 1-16:0-2-18:2-digalactosyldiacylglycerol 16:0-18:2-DGDG
CPD-8161 1-18:2-2-16:0-digalactosyldiacylglycerol 1-18:2-2-16:0-digalactosyldiacylglycerol 18:2-16:0-DGDG
CPD-8164 1-16:0-2-18:3-digalactosyldiacylglycerol 1-16:0-2-18:3-digalactosyldiacylglycerol 16:0-18:3-DGDG
CPD-8162 1-18:3-2-16:0-digalactosyldiacylglycerol 1-18:3-2-16:0-digalactosyldiacylglycerol 18:3-16:0-DGDG
CPD-8082 1-18:2-2-18:2-digalactosyldiacylglycerol 1-18:2-2-18:2-digalactosyldiacylglycerol 18:2-18:2-DGDG
CPD-8165 1-18:2-2-18:2-monogalactosyldiacylglycerol 1-18:2-2-18:2-monogalactosyldiacylglycerol 18:2-18:2-MGDG
CPD-8167 1-18:3-2-18:2-monogalactosyldiacylglycerol 1-18:3-2-18:2-monogalactosyldiacylglycerol 18:3-18:2-MGDG
CPD-8166 1-18:2-2-18:3-monogalactosyldiacylglycerol 1-18:2-2-18:3-monogalactosyldiacylglycerol 18:2-18:3-MGDG
CPD-8168 1-18:3-2-18:3-monogalactosyldiacylglycerol 1-18:3-2-18:3-monogalactosyldiacylglycerol 18:3-18:3-MGDG
CPD-2187 1-18:1-2-16:0-monogalactosyldiacylglycerol 1-18:1-2-16:0-monogalactosyldiacylglycerol 18:1-16:0-MGDG
CPD-8073 1-18:2-2-16:0-monogalactosyldiacylglycerol 1-18:2-2-16:0-monogalactosyldiacylglycerol 18:2-16:0-MGDG
CPD-2188 1-18:1-2-16:1-monogalactosyldiacylglycerol 1-18:1-2-16:1-monogalactosyldiacylglycerol 18:1-16:1-MGDG
CPD-8075 1-18:2-2-16:1-monogalactosyldiacylglycerol 1-18:2-2-16:1-monogalactosyldiacylglycerol 18:2-16:1-MGDG
CPD-8074 1-18:3-2-16:0-monogalactosyldiacylglycerol 1-18:3-2-16:0-monogalactosyldiacylglycerol 18:3-16:0-MGDG
CPD-8077 1-18:1-2-16:2-monogalactosyldiacylglycerol 1-18:1-2-16:2-monogalactosyldiacylglycerol 18:1-16:2-MGDG
CPD-2189 1-18:2-2-16:2-monogalactosyldiacylglycerol 1-18:2-2-16:2-monogalactosyldiacylglycerol 18:2-16:2-MGDG
CPD-8076 1-18:3-2-16:1-monogalactosyldiacylglycerol 1-18:3-2-16:1-monogalactosyldiacylglycerol 18:3-16:1-MGDG
CPD-8079 1-18:1-2-16:3-monogalactosyldiacylglycerol 1-18:1-2-16:3-monogalactosyldiacylglycerol 18:1-16:3-MGDG
CPD-8080 1-18:2-2-16:3-monogalactosyldiacylglycerol 1-18:2-2-16:3-monogalactosyldiacylglycerol 18:2-16:3-MGDG
CPD-8078 1-18:3-2-16:2-monogalactosyldiacylglycerol 1-18:3-2-16:2-monogalactosyldiacylglycerol 18:3-16:2-MGDG
CPD-2190 1-18:3-2-16:3-monogalactosyldiacylglycerol 1-18:3-2-16:3-monogalactosyldiacylglycerol 18:3-16:3-MGDG
3-HYDROXY-PROPIONYL-COA 3-hydroxypropanoyl-CoA 3-hydroxypropanoyl-CoA 3-hydroxypropionyl-CoA
CPD-1083 2-methyl-crotonyl-CoA 2-methyl-crotonyl-CoA tigloyl-CoA
2-METHYL-BUTYRYL-COA 2-methylbutanoyl-CoA 2-methylbutanoyl-CoA S-2-methyl-butyryl-CoA
PROPIONYL-COA propanoyl-CoA propanoyl-CoA propionyl-CoA
3-HYDROXY-3-METHYL-GLUTARYL-COA (S)-3-hydroxy-3-methylglutaryl-CoA (S)-3-hydroxy-3-methylglutaryl-CoA 3-hydroxy-3-methyl-glutaryl-CoA
CPD-650 (R)-3-hydroxybutanoyl-CoA (R)-3-hydroxybutanoyl-CoA 3-hydroxybutyryl-CoA
PALMITYL-COA palmitoyl-CoA palmitoyl-CoA palmitoyl CoA
BUTYRYL-COA butanoyl-CoA butanoyl-CoA butyryl-CoA
ALPHA-METHYL-5-ALPHA-ERGOSTA 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol (4α)-methyl-(5α)-ergosta-8,14,24(28)-trien-3β-ol
CPD-4081 4α-methyl-5α-ergosta-8,14,24(28)-dien-3β-ol 4α-methyl-5α-ergosta-8,14,24(28)-dien-3β-ol 4α-methylfecosterol
CPD-696 24-methylenecycloartanol 24-methylenecycloartanol 24-methylenecycloartenol
4-METHYL-824-CHOLESTADIENOL 4α-methyl-zymosterol 4α-methyl-zymosterol 4-α-methyl zymosterol
CPD-3946 (22S,24R)-22-hydroxy-5α-ergostan-3-one (22S,24R)-22-hydroxy-5α-ergostan-3-one (22α)-hydroxy-5α-campestan-3-one
INDOLE-3-ACETALDOXIME (E)-indol-3-ylacetaldoxime (E)-indol-3-ylacetaldoxime indole-3-acetaldoxime
HOMO-SER L-homoserine L-homoserine homoserine
3-P-SERINE 3-phospho-L-serine 3-phospho-L-serine 3-phospho-serine
CPD-8087 1-18:3-2-16:0-phosphatidylglycerol 1-18:3-2-16:0-phosphatidylglycerol 18:3-16:0-PG
CPD-2185 1-18:2-2-trans-16:1-phosphatidylglycerol 1-18:2-2-trans-16:1-phosphatidylglycerol 18:2-t16:1-PG
CPD-2186 1-18:3-2-trans-16:1-phosphatidylglycerol 1-18:3-2-trans-16:1-phosphatidylglycerol 18:3-t16:1-PG
CPD-2183 1-18:1-2-16:0-phosphatidylglycerol 1-18:1-2-16:0-phosphatidylglycerol 18:1-16:0-PG
CPD-8086 1-18:2-2-16:0-phosphatidylglycerol 1-18:2-2-16:0-phosphatidylglycerol 18:2-16:0-PG
CPD-2184 1-18:1-2-trans-16:1-phosphatidylglycerol 1-18:1-2-trans-16:1-phosphatidylglycerol 18:1-t16:1-PG
CPD-8158 1-16:0-2-18:2-phosphatidylcholine 1-16:0-2-18:2-phosphatidylcholine 16:0-18:2-PC
CPD-8159 1-16:0-2-18:3-phosphatidylcholine 1-16:0-2-18:3-phosphatidylcholine 16:0-18:3-PC
CPD-2181 1-18:1-2-18:1-sn-glycerol-3-phosphocholine 1-18:1-2-18:1-sn-glycerol-3-phosphocholine 18:1-18:1-PC
CPD-8088 1-18:2-2-18:1-phosphatidylcholine 1-18:2-2-18:1-phosphatidylcholine 18:2-18:1-PC
CPD-8091 1-18:1-2-18:2-phosphatidylcholine 1-18:1-2-18:2-phosphatidylcholine 18:1-18:2-PC
CPD-8089 1-18:3-2-18:1-phosphatidylcholine 1-18:3-2-18:1-phosphatidylcholine 18:3-18:1-PC
CPD-2182 1-18:2-2-18:2-sn-glycerol-3-phosphocholine 1-18:2-2-18:2-sn-glycerol-3-phosphocholine 18:2-18:2-PC
CPD-8092 1-18:1-2-18:3-phosphatidylcholine 1-18:1-2-18:3-phosphatidylcholine 18:1-18:3-PC
CPD-8090 1-18:3-2-18:2-phosphatidylcholine 1-18:3-2-18:2-phosphatidylcholine 18:3-18:2-PC
CPD-8093 1-18:2-2-18:3-phosphatidylcholine 1-18:2-2-18:3-phosphatidylcholine 18:2-18:3-PC
1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE 1-18:3-2-18:3-phosphatidylcholine 1-18:3-2-18:3-phosphatidylcholine 18:3-18:3-PC
CPD-8157 1-16:0-2-18:1-phosphatidylcholine 1-16:0-2-18:1-phosphatidylcholine 16:0-18:1-PC
UNDECAPRENYL-DIPHOSPHATE di-trans,octa-cis-undecaprenyl diphosphate di-trans,octa-cis-undecaprenyl diphosphate undecaprenyl diphosphate
SOLANESYL-PYROPHOSPHATE all-trans-nonaprenyl diphosphate all-trans-nonaprenyl diphosphate solanyl pyrophosphate
GERANYLGERANYL-PP all-trans-geranyl-geranyl diphosphate all-trans-geranyl-geranyl diphosphate all-trans-geranyl-geranyl-pp
CPD-440 N-feruloyltyramine N-feruloyltyramine feruloyltyramine
AICAR aminoimidazole carboxamide ribonucleotide aminoimidazole carboxamide ribonucleotide AICAR
PHOSPHORIBOSYL-FORMIMINO-AICAR-P 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide phosphoribosylformiminoAICAR-phosphate
CIS-3-HEXENOL (3Z)-hex-3-en-ol (3Z)-hex-3-en-ol cis-3-hexenol
BUTANEDIOL (R,R)-2,3-butanediol (R,R)-2,3-butanediol 2,3-butanediol
D-MYO-INOSITOL-1-MONOPHOSPHATE 1D-myo-inositol (1)-monophosphate 1D-myo-inositol (1)-monophosphate D-myo-inositol (1)-monophosphate
CPD-6746 1D-myo-inositol (2) monophosphate 1D-myo-inositol (2) monophosphate D-myo-inositol (2) monophosphate
1-L-MYO-INOSITOL-1-P 1D-myo-inositol (3)-monophosphate 1D-myo-inositol (3)-monophosphate D-myo-inositol (3)-monophosphate
MI-HEXAKISPHOSPHATE 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate phytate
CPD-6661 1D-myo-inositol (1,2,3,4,6)-pentakisphosphate 1D-myo-inositol (1,2,3,4,6)-pentakisphosphate D-myo-inositol (1,2,3,4,6)-pentakisphosphate
CPD-534 D-myo-inositol (1,2,4,5,6)-pentakisphosphate D-myo-inositol (1,2,4,5,6)-pentakisphosphate D-myo-inositol (1,2,4,5,6)-pentakisphosphate
MI-PENTAKISPHOSPHATE D-myo-inositol (1,2,3,4,5)-pentakisphosphate D-myo-inositol (1,2,3,4,5)-pentakisphosphate D-myo-inositol (1,2,3,4,5)-pentakisphosphate
CPD-6741 D-myo-inositol (1,2,3,5,6) pentakisphosphate D-myo-inositol (1,2,3,5,6) pentakisphosphate D-myo-inositol (1,2,3,5,6) pentakisphosphate
CPD-1107 D-myo-inositol (1,3,4,5,6)-pentakisphosphate D-myo-inositol (1,3,4,5,6)-pentakisphosphate D-myo-inositol (1,3,4,5,6)-pentakisphosphate
CPD-6781 D-myo-inositol (1,2,3,4) tetrakisphosphate D-myo-inositol (1,2,3,4) tetrakisphosphate D-myo-inositol (1,2,3,4) tetrakisphosphate
INOSITOL-1456-TETRAKISPHOSPHATE D-myo-inositol (1,4,5,6)-tetrakisphosphate D-myo-inositol (1,4,5,6)-tetrakisphosphate D-myo-inositol (1,4,5,6)-tetrakisphosphate
CPD-6743 D-myo-inositol (1,2,3,6) tetrakisphosphate D-myo-inositol (1,2,3,6) tetrakisphosphate D-myo-inositol (1,2,3,6) tetrakisphosphate
CPD-6742 D-myo-inositol (1,2,5,6) tetrakisphosphate D-myo-inositol (1,2,5,6) tetrakisphosphate D-myo-inositol (1,2,5,6) tetrakisphosphate
CPD-506 D-myo-inositol (1,3,4,5)-tetrakisphosphate D-myo-inositol (1,3,4,5)-tetrakisphosphate D-myo-inositol (1,3,4,5)-tetrakisphosphate
CPD-505 D-myo-inositol (1,3,4,6)-tetrakisphosphate D-myo-inositol (1,3,4,6)-tetrakisphosphate D-myo-inositol (1,3,4,6)-tetrakisphosphate
CPD-178 D-myo-inositol (3,4,5,6)-tetrakisphosphate D-myo-inositol (3,4,5,6)-tetrakisphosphate D-myo-inositol (3,4,5,6)-tetrakisphosphate
441 Compounds have differences in slot SYNONYMS between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
Pyrophosphate-inositol-phosphates a pyrophosphate-containing inositol phosphate ("a diphospho-myo-inositol pentakisphosphate" "a diphospho-myo-inositol polyphosphate") NIL
Myo-inositol-monophosphates a myo-inositol monophosphate an inositol monophosphate NIL
Aliphatic-Alpha-Omega-Diamines an aliphatic α,ω-diamine ("aliphatic α,ω-diamine" "an α,ω-diamine" "α,ω-diamine") ("an aliphatic α,ω-diamine" "aliphatic α,ω-diamine" "an α,ω-diamine" "α,ω-diamine")
Aliphatic-Diamines an aliphatic diamine ("aliphatic diamine") ("an aliphatic diamine" "aliphatic diamine")
Aliphatic-Amines an aliphatic amine ("RCH2NH2" "RCH(2)NH(2)") ("aliphatic amine" "an aliphatic amine" "RCH2NH2" "RCH(2)NH(2)")
Chlorides an organic chloride ("RCl") ("a chloride" "RCl")
Rubbers rubber ("natural rubber" "cis-1,4-polyisoprene") ("cis-1,4-polyisoprene" "natural rubber" "cis-1,4-polyisoprene")
CIS-TRANS-POLYISOPRENYL-PP a cis,trans-polyisoprenyl diphosphate a cis,trans-polyisoprenyln-PP NIL
TRANS-POLYISOPRENYL-P an all-trans-polyisoprenyl phosphate a trans-polyisoprenyln-P NIL
CIS-TRANS-POLYISOPRENYL-P a cis,trans-polyisoprenyl phosphate a cis,trans-polyisoprenyln-P NIL
2-Lysophosphatidylcholines a 2-lysophosphatidylcholine ("a 1-acyl-sn-glycero-3-phosphocholine" "a 1-acylglycero-3-phosphocholine" "a 1-acyl-sn-glycerol-3-phosphocholine" "2-Lysolecithin") ("a 1-acyl-sn-glycero-3-phosphocholine" "a 1-acylglycero-3-phosphocholine" "a 1-acyl-sn-glycerol-3-phosphocholine")
ACYL-SN-GLYCEROL-3P a 1-acyl-sn-glycerol-3-phosphate ("a 2-lysophosphatidate" "an acyl-sn-glycerol-3P" "an acyl-sn-glycerol-3-phosphate") ("acyl-sn-glycerol-3-phosphate" "acyl-sn-glycerol-3P" "1-acyl-sn-glycerol-3-phosphate" "a 1-acyl-sn-glycerol-3-phosphate" "an acyl-sn-glycerol-3P" "an acyl-sn-glycerol-3-phosphate" "a 1-acyl-sn-glycerol-3P")
1-Acylglycero-Phosphocholines a 1-acyl-2-lyso-glycerophosphocholine ("a lyso-phosphatidylcholine" "a lysolecithin" "a 2-lysolecithin" "a 1-acyl-2-lyso-phosphatidylcholine" "an α'-acylglycerophosphocholine" "an L-2-lysolecithin" "a 1-acylglycerophosphocholine") ("L-1-lysolecithin" "α'-acylglycerophosphocholine" "1-lysophosphatidylcholine" "1-lysolecithin" "1-acyl-2-lyso-glycerophosphocholine" "a 1-acylglycero-3-phosphocholine" "2-Lysophosphatidylcholine" "a lyso-phosphatidylcholine" "a lysolecithin" "a 2-lysolecithin" "a 1-acyl-2-lyso-phosphatidylcholine" "an α'-acylglycerophosphocholine" "an L-2-lysolecithin" "a 1-acylglycerophosphocholine")
2-Acylglycero-Phosphocholines a 1-lyso-2-acyl-sn-glycero-3-phosphocholine ("a L-1-lysolecithin" "a 1-lysophosphatidylcholine" "a 1-lysolecithin" "a β-lysophosphatidylcholine" "a 2-acylglycerophosphocholine" "a 2-acyl-sn-glycero-3-phosphocholine") ("a 2-lysolecithin" "a L-2-lysolecithin" "a L-1-lysolecithin" "a 1-lysophosphatidylcholine" "a 1-lysolecithin" "a β-lysophosphatidylcholine" "a 2-acylglycerophosphocholine" "a 2-acyl-sn-glycero-3-phosphocholine")
1-Alkyl-sn-glycero-3-phosphocholines a 1-alkyl-sn-glycero-3-phosphocholine ("1-Radyl-2-lyso-sn-glycero-3-phosphocholine" "1-Alkyl-2-lyso-sn-glycero-3-phosphocholine" "1-Organyl-2-lyso-sn-glycero-3-phosphocholine") NIL
PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate ("a phosphatidyl-myo-inositol 4,5-biphosphate" "PtdIns(4,5)P2" "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-4',5'-bisphosphate" "PIP2" "Phosphatidylinositol-4,5-bisphosphate") ("1-Phosphatidyl-1D-myo-inositol 4,5-bisphosphate" "phosphatidyl-myo-inositol 4,5-biphosphate")
1-PHOSPHATIDYL-1D-MYO-INOSITOL-34-BISPH a 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate ("a 1-phosphatidyl-myo-inositol 3,4-bisphosphate" "1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4'-bisphosphate)") ("a 1-phosphatidyl-myo-inositol 3,4-bisphosphate")
L-PHOSPHATIDATE a 1,2-diacylglycerol-3-phosphate ("DGP" "diacylglycerol phosphate" "a 3-sn-phosphatidate" "a diacyl-glycerol-3p" "a diacyl-glycerol-p" "a diacylglycerol-3-phosphate" "a phosphatidic acid" "an L-phosphatidate" "a phosphatidate" "a 1,2-diacylglycerol-3-phosphate" "a phosphatidylglycerol") ("diacylglycerol-3-phosphate" "phosphatidate" "1,2-diacylglycerol-3-phosphate" "phosphatidic acid" "1,2-diacyl-sn-glycerol-3-phosphate" "diacyl-glycerol-p" "diacyl-glycerol-3p" "A 3-SN-phosphatidate" "L-phosphatidate" "phosphatidate (E.coli)" "a phosphatidylglycerol" "a 3-sn-phosphatidate" "a diacyl-glycerol-3p" "a diacyl-glycerol-p" "a 1,2-diacyl-sn-glycerol-3-phosphate" "a phosphatidic acid" "a 1,2-diacylglycerol-3-phosphate" "a phosphatidate" "a diacylglycerol-3-phosphate")
L-1-PHOSPHATIDYL-GLYCEROL an L-1-phosphatidyl-glycerol ("3-(3-sn-phosphatidyl)glycerol" "3(3-phosphatidyl-)glycerol" "1-phosphatidylglycerol" "phosphatidylglycerol") ("Phosphatidylglycerol (Ecoli)" "3-(3-sn-phosphatidyl)glycerol" "3(3-phosphatidyl-)glycerol" "1-phosphatidylglycerol" "phosphatidylglycerol")
Glucosyl-Ceramides a glucosylceramide (I) ("a glucosylceramide (I)") ("a glucosylceramide (I)" "a glucosylceramide")
ALLO-THR DL-allothreonine ("allothreonine" "allo-thr") ("DL-allothreonine" "allo-thr")
Amino-Acids-20 a standard α amino acid ("protein-building amino acid" "amino acid" "L-amino acid" "protein-building amino acid" "proteinogenic amino acid") ("protein-building amino acid" "protein-building amino acid" "amino acid" "L-amino acid" "protein-building amino acid" "proteinogenic amino acid")
N-Carbamoyl-L-Amino-Acids an N-carbamoyl-L-2-amino acid ("an N-carbamoyl-L-amino acid") ("N-carbamoyl-L-amino acid" "an N-carbamoyl-L-amino acid")
CPD-9973 an eIF5A deoxyhypusine ("a protein deoxyhypusine" "a protein N6-(4-aminobutyl)-L-lysine") ("deoxyhypusine" "protein N6-(4-aminobutyl)-L-lysine")
Protein-Phosphoserines a protein L-serine phosphate a protein L-phosphoserine NIL
Prot-Glycinamides a protein glycinamide a peptidyl glycinamide NIL
ENZYME-S-SULFANYLCYSTEINE a protein-S-sulfanylcysteine NIL [enzyme]-S-sulfanylcysteine
EIF5A-LYSINE an eIF5A lysine an eIF5A-L-lysine translation initiation factor 5A
Protein-Histidines a protein L-histidine a peptidyl L-histidine a protein L-histidine
Prot-Alanines a protein L-alanine a peptidyl-L-alanine NIL
Protein-Amino-Acids an amino acid within a protein a peptidyl-L-amino acid NIL
TRANS-D2-ENOYL-COA a trans-2,3-dehydroacyl-CoA ("a trans-2,3-dehydroacyl-CoA" "a trans-2,3-didehydroacyl-CoA" "a trans-2-enoyl-CoA" "a trans-Δ2-enoyl-CoA" "a trans-didehydroacyl-CoA" "a (2E)-2-enoyl-CoA") ("a (2E)-2-enoyl-CoA" "a trans-didehydroacyl-CoA" "a trans-Δ2-enoyl-CoA" "a trans-2-enoyl-CoA" "a trans-2,3-didehydroacyl-CoA" "a trans-2,3-dehydroacyl-CoA" "trans-Δ2-enoyl-CoA" "trans-2,3-dehydroacyl-CoA" "trans-2,3-didehydroacyl-CoA" "trans-2,3-didehydroacyl-CoA" "trans-2,3-dehydroacyl-CoA" "trans-Δ2-enoyl-CoA" "trans-didehydroacyl-CoA")
VERY-LONG-CHAIN-FATTY-ACYL-COA a very long chain fatty acyl-CoA ("a very long-chain fatty acyl-CoA") ("acyl-CoA" "a very long-chain fatty acyl-CoA")
Fatty-Acyl-CoA a long-chain acyl-CoA ("a fatty acyl CoA") ("a fatty acyl CoA" "acyl-CoA" "fatty acyl CoA-" "a fatty acyl-CoA")
D-3-HYDROXYACYL-COA a (3R)-3-hydroxyacyl-CoA ("a D-3-hydroxyacyl-CoA" "an (R)-hydroxyacyl-CoA" "a cis-3-hydroxyacyl-CoA" "a 3-OH-acyl-CoA" "a 3-hydroxyacyl-CoA") ("a 3-hydroxyacyl-CoA" "a 3-OH-acyl-CoA" "a cis-3-hydroxyacyl-CoA" "an (R)-hydroxyacyl-CoA" "a D-3-hydroxyacyl-CoA" "(R)-3-hydroxyacyl-CoA" "(R)-hydroxyacyl-CoA" "cis-3-hydroxyacyl-CoA" "RCHOHCH2CO-CoA" "3-OH-acyl-CoA" "3-hydroxyacyl-CoA")
3-KETOACYL-COA a 3-oxoacyl-CoA ("a 3-oxoacyl-CoA" "a 3-oxo-acyl-CoA" "a 3-ketoacyl-CoA" "a β-ketoacyl-CoA") ("a β-ketoacyl-CoA" "a 3-ketoacyl-CoA" "a 3-oxo-acyl-CoA" "a 3-oxoacyl-CoA" "RCOCH2CO-CoA" "3-oxoacyl-CoA" "β-ketoacyl-CoA")
D-Galactosyl-12-diacyl-glycerols a monogalactosyldiacylgycerol ("a D-galactosyldiacylglycerol" "a 3-(β-D-galactosyl)-1,2-diacyl-sn-glycerol" "a 3-β-D-galactosyl-1,2-diacylglycerol" "a monogalactosyldiglyceride" "MGDG" "a Galβ1->3acyl2Gro" "a mono-β-D-galactosyldiacylglycerol") ("a monogalactosyldiglyceride" "a D-galactosyldiacylglycerol" "a 3-(β-D-galactosyl)-1,2-diacyl-sn-glycerol" "a 3-β-D-galactosyl-1,2-diacylglycerol" "a monogalactosyldiglyceride" "MGDG" "a Galβ1->3acyl2Gro" "a mono-β-D-galactosyldiacylglycerol")
1-3-beta-D-Glucans a 1,3-β-D-glucan ("1,3-β-D-glucan(n-1)" "1,3-β-D-glucan(n+1)" "1,3-β-D-glucan(n)" "curdlan" "(1,3-β-D-Glucosyl)(n)" "(1,3-β-D-Glucosyl)(n+1)" "(1,3-β-D-Glucosyl)(n-1)") ("1,3-β-D-glucan(n-1)" "1,3-β-D-glucan(n+1)" "1,3-β-D-glucan(n)")
1-4-beta-D-Glucan a 1,4-β-D-glucan ("(1,4-β-D-glucosyl)(n)" "(1,4-β-D-glucosyl)(n+1)" "(1,4-β-D-glucosyl)(n-1)") ("14-β-D-glucosyln1" "(1,4-β-D-glucosyl)(n)" "(1,4-β-D-glucosyl)(n+1)" "(1,4-β-D-glucosyl)(n-1)")
Lambda-Carrageenan λ-carrageenan λ- carrageenan NIL
Levan a levan NIL 2,6-β-D-fructan
1-4-alpha-D-galacturonosyl a homogalacturonan ("a 1,4-α-poly-D-galacturonate" "a 1,4-α-D-galacturonosyl") ("1,4-α-poly-D-galacturonate" "homogalacturonan")
KERATAN-6-SULFATE keratan sulfate ("keratan 6-sulfate" "kerato sulfate" "kerato 6'-sulfate") ("keratan sulfate" "kerato sulfate" "keratan" "kerato 6'-sulfate")
GlcNAc-GlcA-Gal-Gal-Xyl-Protein α-N-acetyl-D-glucosaminyl-(1->4)-β-D-glucuronosyl-(1->3)-β-D-galactosyl-(1->3)-β-D-galactosyl-(1->4)-β-D-xylosyl-[core protein] α-N-acetyl-D-glucosaminyl-(1->4)-β-D-glucuronosyl-(1->3)-β-D-galactosyl-(1->3)-β-D-galactosyl-(1->4)-β-D-xylosyl-[proteoglycan] α-N-acetyl-D-glucosaminyl-(1->4)-β-D-glucuronosyl-(1->3)-β-D-galactosyl-(1->3)-β-D-galactosyl-(1->4)-β-D-xylosylproteoglycan
KERATAN a keratan NIL ("keratan sulfate" "Kerato sulfate" "keratan 6'-sulfate" "kerato 6'-sulfate")
Lipopolysaccharides a lipopolysaccharide ("a lipopolysaccharide" "lipopolysaccharide" "LPS") ("a lipopolysaccharide" "lipopolysaccharide")
O-Antigens an O-antigen ("an O-specific polysaccharide" "an O polysaccharide," "an O side-chain") ("an O-specific polysaccharide")
Xyloglucans a xylose/galactose/fucose xyloglucan a xyloglucan NIL
Glycosaminoglycans a glycosaminoglycan a mucopolysaccharide mucopolysaccharides
MANNOSE D-mannose ("mannopyranoside" "mannopyranose" "mannose") ("mannose" "mannopyranoside" "mannopyranose" "D-mannose")
L-FUCOSE L-fucose ("fucose" "6-deoxy-L-galactose" "L-galactomethylose") ("α-L-fucopyranose" "fucose" "6-deoxy-L-galactose" "L-galactomethylose")
L-rhamnose L-rhamnose ("L-rhamnopyranose" "6-Deoxy-L-mannose" "L-Mannomethylose") ("L-rhamnopyranose")
N-ACETYL-D-GALACTOSALAMINYL-R an N-acetyl-β-D-galactosalaminyl-[glycan] ("an N-acetyl-β-D-galactosalaminyl-R" "an N-acetyl-β-D-galactosaminide") ("an N-acetyl-D-galactosalaminyl-R")
Aldoses an aldose an aldose NIL
Beta-D-Glucuronides a β-D-glucuronoside ("a β-D-glucuronoside" "an acceptor β-D-glucuronoside" "a glucuronide") ("an acceptor-β-D-glucuronoside" "a β-D-glucuronide" "an acceptor β-D-glucuronoside" "a glucuronide")
NAcMur-Peptide-NAcGlc-Undecaprenols a lipid II ("a GlcNAc-(1->4)-MurNAc-pentapeptide-diphosphoundecaprenol" "a N-acetylglucosamine--N-acetylmuramoyl-(pentapeptide) pyrophosphoryl-undecaprenol" "a peptidoglycan monomer") ("a GlcNAc-(1->4)-MurNAc-pentapeptide-diphosphoundecaprenol")
DEOXY-RIBOSE-5P 2-deoxy-D-ribose-5-phosphate NIL ("2-deoxy-D-ribose-5-phosphate" "deoxyribose-5-P" "2-deoxyribose-5-P" "2-deoxyribose-5-phosphate" "2-deoxy-α-D-ribose 5-phosphate")
DEOXY-RIBOSE-1P deoxyribose-1-phosphate NIL ("2-deoxy-D-ribose-1-phosphate" "2-deoxy-α-D-ribose 1-phosphate")
NAcMur-Peptide-Undecaprenols a N-acetylmuramoyl-pentapeptide-diphosphoundecaprenol lipid I NIL
Deoxy-Ribonucleoside-Diphosphates a deoxyribonucleoside diphosphate ("2'-deoxyribonucleoside diphosphate" "a deoxynucleoside diphosphate" "a 2'-deoxyribonucleoside diphosphate") ("a 2'-deoxyribonucleoside diphosphate" "2'-deoxyribonucleoside diphosphate" "deoxynucleoside diphosphate" "deoxyribonucleoside diphosphate")
Deoxy-Ribonucleoside-Triphosphates a deoxyribonucleoside triphosphate ("a deoxynucleoside triphosphate" "a 2'-deoxyribonucleoside triphosphate") ("a 2'-deoxyribonucleoside triphosphate" "deoxynucleoside triphosphate" "a deoxynucleoside triphosphate")
Deoxy-Ribonucleoside-Monophosphates a deoxyribonucleoside monophosphate ("a 2'-deoxynucleoside 5'-phosphate" "a 2'-deoxynucleoside 5'-monophosphate" "a 2'-deoxyribonucleoside monophosphate" "a deoxynucleoside monophosphate" "a deoxynucleoside 5'-monophosphate") ("a 2'-deoxyribonucleoside monophosphate" "2'-deoxynucleoside 5'-monophosphate" "2'-deoxynucleoside 5'-phosphate" "a 2'-deoxynucleoside 5'-phosphate" "a 2'-deoxynucleoside 5'-monophosphate" "a deoxyribonucleoside monophosphate" "a deoxynucleoside monophosphate" "a deoxynucleoside 5'-monophosphate")
Deoxynucleotides a deoxyribonucleotide ("a deoxynucleotide") ("a deoxynucleotide" "Deoxynucleotides")
Deoxy-Ribonucleosides a deoxynucleoside ("a 2'-deoxynucleoside" "a deoxyribonucleoside") ("deoxynucleoside" "a 2'-deoxynucleoside" "a deoxyribonucleoside")
tRNAs-with-queuosine queuosine at position 34 of a tRNA containing GUN anticodon a tRNA containing queuosine NIL
tRNAs-with-glutamylated-queuosine glutamyl-queuosine at position 34 of a tRNAAsp ("a tRNA containing glutamylated queuosine" "glutamylated queuosine at position 34 of a tRNAAsp") NIL
Purine-Ribonucleosides a purine ribonucleoside ("nebularine" "purine riboside" "an N-D-ribosyl-purine") ("purine nucleoside" "A N-D-RIBOSYLPURINE" "nebularine" "purine riboside" "an N-D-ribosyl-purine")
METHYLENE-THF-GLU-N a 5,10-methylene-tetrahydrofolate ("methylene-H4PteGlu(n)" "methylene-THF(glu)n" "methylene-H4PteGlun" "methylene-tetrahydropteroylpolyglutamates") ("methylene-THF polyglutamates" "methylene-H4PteGlu(n)" "methylene-THF(glu)n" "methylene-H4PteGlun" "methylene-tetrahydropteroylpolyglutamates")
N5-Formyl-THF-Glu an N5-formyl-tetrahydrofolate NIL 5-formyl-THF
THF-GLU-N a tetrahydrofolate-glutamate ("a tetrahydrofolate" "THF(glu)n" "H4PteGlun" "tetrahydropteroylpolyglutamate" "THF" "THF polyglutamate") ("THF(glu)n" "H4PteGlun" "tetrahydropteroylpolyglutamate" "THF" "THF polyglutamate")
1-Hydroxy-2-oxolimonenes a 1-hydroxy-2-oxolimonene a 1-hydroxymenth-8-en-2-one NIL
6-isopropenyl-3-methyloxepan-2-one a 6-isopropenyl-3-methyloxepan-2-one ("a 6-isopropenyl-3-methyl-2oxo-oxepanon" "an isoprop(en)ylmethyloxepan-2-one") ("a 6-isopropenyl-3-methyl-2oxo-oxepanon")
3-Isopropenyl-4H-hexano-lactones a 3-isopropenyl-4-hydroxy-hexano-6-lactone ("a 7-hydroxy-4-isoprenyl-7-methyl-2-oxo-oxepanone" "a 7-hydroxy-4-isopropenyl-7-methyloxepan-2-one") ("a 7-hydroxy-4-isoprenyl-7-methyl-2-oxo-oxepanone")
A-GLUCOSYLOXYANTHRAQUINONE a glucosyloxyanthraquinone glucosyloxyanthraquinone NIL
ACETOIN acetoin ("acetylmethylcarbinol" "3-hydroxy-2-butanone" "dimethylketol" "3-hydroxybutan-2-one") ("(R)-acetoin" "acetylmethylcarbinol" "3-hydroxy-2-butanone" "(R)-2-acetoin" "(R)-3-hydroxy-2-butanone" "(R)-dimethylketol" "(R)-3-hydroxybutan-2-one" "3-hydroxybutan-2-one")
Long-Chain-Aldehydes a long-chain aldehyde a long-chain fatty aldehyde NIL
GLY-tRNAs tRNAgly NIL TRNA(GLY)
Donor-H2 a reduced electron acceptor ("reduced acceptor" "a reduced acceptor" "a donor") ("a reduced acceptor" "donor" "reduced electron acceptor" "reduced acceptor" "a reduced electron acceptor" "a donor" "A(H2)")
Acceptor an oxidized electron acceptor ("an acceptor" "an oxidized donor") ("an acceptor" "oxidized donor" "oxidized electron acceptor" "an oxidized electron acceptor" "an oxidized donor" "A")
5-Methylcytosine-DNA a DNA 5-methylcytosine DNA containing 5-methylcytosine NIL
DNA-Adjacent-Pyrimidines a DNA pair of adjacent pyrimidines ("2 pyrimidine residues (in DNA)" "a DNA pair of adjacent pyrimidines" "DNA pair of adjacent pyrimidines" "PYRIMIDINE RESIDUES (IN DNA)") ("a DNA pair of adjacent pyrimidines" "pyrimidine residues (in DNA)")
DNA-6-O-Methyl-Guanines a DNA containing 6-O-methylguanine ("a DNA 6-O-methylguanine" "DNA 6-O-methylguanine" "DNA (CONTAINING 6-O-METHYLGUANINE)") ("a DNA 6-O-methylguanine")
Long-Chain-Fatty-Acids a long-chain fatty acid ("LCFA") ("LCFA" "Long-Chain-Fatty-Acids")
Lactate lactate ("lactic acid" "DL lactate" "(RS)-lactate" "DL lactic acid" "(RS)-lactic acid" "2-hydroxypropanoate" "2-hydroxypropanoic acid") NIL
D-GALACTURONATE D-galacturonate ("galacturonate" "D-galaturonate" "galaturonate" "D-galacturonic acid" "D-galactopyranuronic acid") ("galacturonate" "D-galaturonate" "galaturonate" "D-galacturonic acid")
Fatty-Acids a fatty acid NIL ("a fatty acid" "a fatty acidn-1" "RCH2CH2COOH" "a long-chain carboxylate" "A LONG-CHAIN FATTY ACID ANION" "A LONG-CHAIN ACID ANION" "A LONG-CHAIN CARBOXYLIC ACID" "fatty acid" "a fatty acid anion" "free fatty acid" "a long chain fatty acid" "Long-Chain-Fatty-Acids")
6-H-5-I-2-methylhexanoates a 6-hydroxy-5-isopropenyl-2-methylhexanoate a 6-hydroxyisoprop(en)ylmethylhexanoate NIL
GLUCURONATE D-glucuronate ("glucuronate" "glucuronic acid" "D-glucuronic acid" "GlcA" "D-glucopyranuronic acid") ("D-glucopyranuronic acid" "GlcA" "glucuronate" "D-glucuronate" "glucuronic acid" "D-glucuronic acid")
CPD-11797 2-O-sulfolactate ("2-O-sulfolactic acid" "2-(sulfooxy)propanoic acid") ("2-O-sulfolactic acid")
Dermatan-NAcGal-46-disulfates [dermatan]-4,6-di-O-sulfo-N-acetyl-D-galactosamine ("[dermatan]-N-acetyl-galactosamine 4',6'-disulfate" "[dermatan]-N-acetyl-galactosamine 4',6'-bissulfate") ("[dermatan]-N-acetyl-galactosamine 4',6'-disulfate")
CHONDROITIN-46-DISULFATE [chondroitin]-4,6-di-O-sulfo-N-acetyl-D-galactosamine ("[chondroitin]-N-acetyl-galactosamine 4',6'-disulfate" "[chondroitin]-N-acetyl-galactosamine 4',6'-bissulfate" "[chondroitin]-4-O,6-O-bissulfo-N-acetylgalactosamine") ("[chondroitin]-N-acetyl-galactosamine 4',6'-disulfate" "[chondroitin]-N-acetyl-galactosamine 4',6'-bissulfate")
N6-O-disulfo-D-glucosamine N,6-O-disulfo-D-glucosamine N2-,6-disulfo-D-glucosamine NIL
Dermatan-NAcGal-4-sulfates [dermatan]-4-O-sulfo-N-acetyl-D-galactosamine ("[dermatan]-N-acetyl-galactosamine 4'-sulfate" "[dermatan]-4-O-sulfo-N-acetylgalactosamine") ("[dermatan]-N-acetyl-galactosamine 4'-sulfate")
HEPARIN-GLUCOSAMINE-3-O-SULFATE [heparan sulfate]-α-D-glucosamine 3-sulfate ("a heparin-glucosamine 3-O-sulfate" "[heparan sulfate]-glucosamine 3-sulfate") ("[heparan sulfate]-glucosamine 3-sulfate")
Dermatan-NacGal [dermatan]-N-acetyl-D-galactosamine [dermatan]-N-acetylgalactosamine NIL
CPD-5170 a (glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol an {α-D-glucosyl-(1->3)-α-D-glucosyl-(1->3)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol {α-D-glucosyl-(1->3)-α-D-glucosyl-(1->3)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
BETA-D-GALACTOSYL-R a β-D-galactosyl-R NIL a β-D-galactosyl-R
CPD-5169 a glucosyl-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol an {α-D-glucosyl-(1->3)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol {α-D-glucosyl-(1->3)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
MANNOSYL-ETCETERA-MANNOSYL-R α-D-mannosyl-1,6-(N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,3)-β-D-mannosyl-[glycoprotein] α-D-mannosyl-1,6-(N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,3)-β-D-mannosyl-R NIL
ALPHA-D-MANNOSYLCHITOBIO a mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol ("an α-D-mannosylchitobiosyldiphosphodolichol" "a {β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol" "a β-1,4-D-mannosylchitobiosyldiphosphodolichol") ("α-D-mannosylchitobiosyldiphosphodolichol" "{β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol" "β-1,4-D-mannosylchitobiosyldiphosphodolichol")
CPD-5168 a (mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol an {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
OLIGOSACCHARIDE-DIPHOSPHODOLICHOL an oligosaccharide-diphosphodolichol ("a (glucosyl)3-(mannosyl)9-(N-acetylglucosaminyl)2-PP-Dol" "an {α-D-glucosyl-(1->2)-α-D-glucosyl-(1->3)-α-D-glucosyl-(1->3)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol" "a dolichyl diphosphooligosaccharide" "a (glucosyl)3-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol") ("(glucosyl)3-(mannosyl)9-(N-acetylglucosaminyl)2-PP-Dol" "{α-D-glucosyl-(1->2)-α-D-glucosyl-(1->3)-α-D-glucosyl-(1->3)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol" "dolichyl diphosphooligosaccharide" "(glucosyl)3-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol")
14-ALPHA-D-GALACTURONIDE 1,4-α-D-galacturonide ("Pectate" "(1,4-α-D-Galacturonosyl)n" "α-D-Polygalacturonic acid" "Poly(1,4-α-D-galacturonate)" "Poly(1,4-α-D-galacturonate)(n)") NIL
CPD-5167 a (mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol an {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
b-D-mannosyl-R β-D-mannosyl-[glycoprotein] β-D-mannosyl-R b-D-mannosyl-R
CPD-5166 a (mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol an {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
CPD-5165 a (mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol an {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->3)-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->3)-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
CPD-171 a dolichyl β-D-mannosyl phosphate ("dolichol monophosphate mannose" "β-D-mannopyranose, 1-ester with dolichol dihydrogen phosphate" "D-mannose, ester with dolichol dihydrogen phosphate" "mannosyl phosphoryl dolichol" "mannolipid" "dolichyl mannosyl phosphate" "dolichyl mannopyranosyl phosphate" "dolichyl phosphate D-mannose" "dolichyl D-mannosyl phosphate") ("dolichol monophosphate mannose" "β-D-mannopyranose, 1-ester with dolichol dihydrogen phosphate" "D-mannose, ester with dolichol dihydrogen phosphate" "mannosyl phosphoryl dolichol" "mannolipid" "dolichyl mannosyl phosphate" "dolichyl mannopyranosyl phosphate" "dolichol, β-D-mannopyranose deriv." "dolichyl phosphate D-mannose" "dolichyl D-mannosyl phosphate")
NN-DIACETYLCHITOBIOSYLDIPHOSPHODOLICHO an (N-acetylglucosaminyl)2-diphosphodolichol ("a chitobiosyldiphosphodolichol" "an N,N'-diacetylchitobiosyldiphosphodolichol" "an {N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol") ("chitobiosyldiphosphodolichol" "N,N'-diacetylchitobiosyldiphosphodolichol" "{N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol")
CPD-5164 a (mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol an {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
NAc-glucosaminyl-b-D-mannosyl-R 4-(N-acetyl-β-D-glucosaminyl)-β-D-mannosyl-[glycoprotein] 4-(N-acetyl-β-D-glucosaminyl)-β-D-mannosyl-R 4-(N-acetyl-b-D-glucosaminyl)-b-D-mannosyl-R
CPD-190 an N-acetylglucosaminyl-diphosphodolichol an N-acetyl-D-glucosaminyldiphosphodolichol N-acetyl-D-glucosaminyldiphosphodolichol
ACETYL-GLUCOSAMINYL-ETCETERA-MANNOSYL-R N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,6-(N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,3)-β-D-mannosyl-[glycoprotein] N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,6-(N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,3)-β-D-mannosyl-R NIL
CPD-5163 a (mannosyl)4-(N-acetylglucosaminyl)2-diphosphodolichol an {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
Acyl-Phosphates an acyl phosphate acyl phosphate NIL
5-L-GLUTAMYL-L-AMINO-ACID a 5-L-glutamyl-L-amino acid ("an L-γ-glutamyl-L-amino acid") ("L-γ-glutamyl-L-amino acid" "L-gamma-glutamyl-L-amino acid")
DOLICHOLP a dolichyl phosphate ("a a dolichol-phosphate" "a dolychol phosphate" "a dolichyl phosphate" "a dolichol phosphate" "a dolichyl monophosphate" "a dolichol monophosphate") ("dolichol-phosphate" "Dolychol phosphate")
CPD-5162 a (mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol an {α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)}-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol {α-D-mannosyl-(1->3)-[α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
CPD-5161 a (mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol an {α-D-mannosyl-(1->3)-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol {α-D-mannosyl-(1->3)-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol
HEPARIN-GLUCOSAMINE [heparan sulfate]-α-D-glucosamine ("a heparin glucosamine" "[heparan sulfate]-glucosamine") ("[heparan sulfate]-glucosamine")
L-2-AMINO-ACID an L-2-amino-acid an L-Amino acid L-Amino acid
DIACYLGLYCEROL-PYROPHOSPHATE a 1,2-diacyl-sn-glycerol 3-diphosphate ("DGPP" "a diacylglycerol pyrophosphate" "Phosphatidate" "phosphatidic acids") ("DGPP")
AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE 5-amino-6-(D-ribitylamino)uracil ("6-(1-D-ribitylamino)-5-amino-2,4-dihydroxypyrimidine" "5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione" "ARP" "6-(1-D-ribitylamino)-5-aminouracil" "5-amino-6-(1-D-ribitylamino)pyrimidine-2,4(1H,3H)-dione") ("6-(1-D-ribitylamino)-5-aminouracil" "6-(1-D-ribitylamino)-5-amino-2,4-dihydroxypyrimidine" "4-(1-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine" "4-(1-D-ribitylamino)-5-aminouracil" "compound 6")
N-5-PHOSPHORIBOSYL-ANTHRANILATE N-(5'-phosphoribosyl)-anthranilate ("N-(5-phospho-D-ribosyl)-anthranilate" "N-(5-phospho-β-D-ribosyl)-anthranilate" "5-phosphoribosyl-anthranilate" "5-P-ribosyl-anthranilate" "5'-phosphoribosyl-anthranilate" "5'-P-ribosyl-anthranilate" "N-(5-phosphoribosyl)-anthranilate") ("N-(5-phosphoribosyl)-anthranilate" "N-(5-phospho-β-D-ribosyl)-anthranilate" "N-(5-Phospho-D-ribosyl)anthranilate" "N-(5-phospho-D-ribosyl)-anthranilate" "N-(5-phospho-β-D-ribosyl)-anthranilate" "5-phosphoribosyl-anthranilate" "5-P-ribosyl-anthranilate" "5'-phosphoribosyl-anthranilate" "5'-P-ribosyl-anthranilate" "N-(5-phosphoribosyl)-anthranilate")
CONIFERYL-ALCOHOL coniferyl alcohol ("4-hydroxy-3-methoxycinnamyl alcohol" "3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol" "4-(3-hydroxy-1-propenyl)-2-methoxyphenol" "γ-hydroxyisoeugenol" "coniferol" "E-coniferyl alcohol") ("coniferyl alcohol" "4-hydroxy-3-methoxycinnamyl alcohol" "3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol" "4-(3-hydroxy-1-propenyl)-2-methoxyphenol" "γ-hydroxyisoeugenol" "coniferol" "E-coniferyl alcohol")
3-5-ADP adenosine 3',5'-bisphosphate ("adenosine-3',5'-bisphosphate" "3',5'-ADP" "phosphoadenosine phosphate" "PAP") ("adenosine-3',5'-bisphosphate" "adenosine 3',5'-bisphosphate" "PAP" "phosphoadenosine phosphate" "3',5'-ADP")
PAPS phosphoadenosine-5'-phosphosulfate ("PAPS" "phosphoadenosine phosphosulfate" "3'-phosphoadenosine-5'-phosphosulfate" "3'-phosphoadenylyl-sulfate" "3'-phospho-5'-adenylyl sulfate") ("PAPS" "phosphoadenosine phosphosulfate" "3'-phosphoadenosine-5'-phosphosulfate" "3'-phosphoadenylyl-sulfate")
INDOLE-3-ACETYL-LEU indole-3-acetyl-leucine ("indole-3-acetyl-Leu" "IAA-Leu") ("IAA-Leu" "indole-3-acetyl-Leu" "indole-3-acetyl-leucine")
INDOLE-3-ACETYL-ALA indole-3-acetyl-alanine ("indole-3-acetyl-ala" "IAA-Ala") ("IAA-Ala" "indole-3-acetyl-ala" "indole-3-acetyl-alanine")
ETHYLENE-CMPD ethylene ("olefiant gas" "elayl" "ethene") ("ethylene" "olefiant gas" "elayl" "ethene")
TYRAMINE tyramine ("tyrosamine" "4-(2-aminoethyl)phenol" "p-hydroxyphenethylamine" "2-(p-hydroxyphenyl)ethylamine") ("2-(p-hydroxyphenyl)ethylamine" "p-hydroxyphenethylamine" "tyrosamine" "4-(2-Aminoethyl)phenol" "p-Hydroxyphenethylamine" "2-(p-Hydroxyphenyl)ethylamine")
CPD-10520 3,7,3'-tri-methylquercetagetin 3, 7, 3'-O-trimethylquercetagetin 3, 7, 3’-O-trimethylquercetagetin
DELTA1-PIPERIDEINE-2-6-DICARBOXYLATE tetrahydrodipicolinate ("2,3,4,5-tetrahydrodipicolinate" "L-2,3,4,5-tetrahydrodipicolinate" "Δ1-piperideine-2,6-dicarboxylate" "(S)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylate" "tetrahydropyridine-2,6-dicarboxylate") ("2,3,4,5-Tetrahydrodipicolinate" "L-2,3,4,5-tetrahydrodipicolinate" "Δ1-piperideine-2,6-dicarboxylate" "(S)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylate")
ALLYSINE 2-aminoadipate-6-semialdehyde ("L-2-aminoadipate 6-semialdehyde" "2-aminoadipate 6-semialdehyde" "α-aminoadipate 6-semialdehyde" "2-aminoadipate semialdehyde" "L-allysine" "(S)-2-aminoadipate 6-semialdehyde") ("(S)-2-aminoadipate 6-semialdehyde" "L-2-aminoadipate 6-semialdehyde" "2-aminoadipate 6-semialdehyde" "α-aminoadipate 6-semialdehyde" "2-aminoadipate semialdehyde" "allysine")
SACCHAROPINE L-saccharopine ("N6-(L-1,3-dicarboxypropyl)-L-lysine" "ε-N-(L-glutar-2-yl)-L-lysine" "saccharopine") ("N6-(L-1,3-dicarboxypropyl)-L-lysine" "ε-N-(L-glutar-2-yl)-L-lysine")
DIAMINONONANOATE 7,8-diaminopelargonate ("7,8-diaminononanoate" "DAPA") ("7,8-diaminononanoate" "7,8-diaminopelargonate" "DAPA")
8-AMINO-7-OXONONANOATE 7-keto-8-aminopelargonate ("8-amino-7-oxononanoate" "KAPA" "7-KAP") ("8-amino-7-oxononanoate" "7-KAP" "7-keto-8-aminopelargonate" "KAPA")
DEAMIDO-NAD nicotinate adenine dinucleotide ("Deamino-NAD+" "NaADN" "deamido-NAD+" "deamidonicotinamide adenine dinucleoetide" "deamido-NAD" "NAAD") ("deamido-NAD" "Deamino-NAD+" "NaADN" "deamido-NAD+" "deamidonicotinamide adenine dinucleoetide" "nicotinate adenine dinucleotide" "NAAD")
GLYCEROL-3P sn-glycerol-3-phosphate ("L-G3P" "L-glycerol 3-phosphate" "α-glycerophosphoric acid" "glycerol-3-P" "glycerol-1-phosphate" "α-glycerophosphate" "D-glycerol-3-phosphate" "rac-Glycerol 3-phosphate" "glycerol-3-phosphate") ("L-glycerol 3-phosphate" "L-G3P" "sn-glycerol-3-phosphate" "α-glycerophosphoric acid" "glycerol-3-P" "glycerol-1-phosphate" "α-glycerophosphate" "D-glycerol-3-phosphate" "rac-Glycerol 3-phosphate" "glycerol-3-phosphate")
CPD-6082 3-aminopropanal ("3-amino-propanal" "3-APA" "3-aminopropionaldehyde") ("3-aminopropionaldehyde" "3-aminopropanal" "3-amino-propanal" "3-APA")
CPD-6122 1,5-diazabicyclononane NIL 1,5-diazabicyclo[4.3.0]nonane
PRENAL 3-methyl-2-butenal ("3-methylbut-2-enal" "3,3-dimethyl-acrylaldehyde" "prenal" "3-methylcrotonaldehyde") ("3-methylbut-2-enal" "3,3-dimethyl-acrylaldehyde" "prenal")
P-AMINO-BENZOATE p-aminobenzoate ("para-aminobenzoic acid" "p-aminobenzoic acid" "para-aminobenzoate" "4-aminobenzoate" "4-aminobenzoic acid" "pABA") ("pABA" "p-aminobenzoate" "para-aminobenzoic acid" "p-aminobenzoic acid" "para-aminobenzoate" "4-aminobenzoate" "4-aminobenzoic acid")
DIHYDROPTERIN-CH2OH-PP 6-hydroxymethyl-dihydropterin diphosphate ("6-hydroxymethyl-dihydropterin pyrophosphate" "2-amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)-pteridine" "dihydropterin-CH2OH-diphosphate" "dihydropterin-CH2OH-pp" "(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate") ("6-hydroxymethyl-dihydropterin pyrophosphate" "2-amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)-pteridine" "dihydropterin-CH2OH-diphosphate" "dihydropterin-CH2OH-pp")
2K-ADIPATE 2-oxoadipate ("2-ketoadipate" "α-ketoadipate" "2-keto-adipate" "2-oxohexanedionic acid") ("2-ketoadipate" "2-oxoadipate" "2-keto-adipate" "2-oxohexanedionic acid")
P-COUMAROYL-COA 4-coumaroyl-CoA ("p-coumaroyl-CoA") ("p-coumaryl-CoA" "4-coumaroyl-CoA" "coumaroyl-CoA" "p-coumaroyl-CoA")
CONIFERYL-ALDEHYDE coniferaldehyde ("4-hydroxy-3-methoxycinnamaldehyde" "4-hydroxy-3-methoxycinnamic aldehyde" "coniferyl aldehyde") ("coniferyl aldehyde" "4-hydroxy-3-methoxycinnamaldehyde" "4-hydroxy-3-methoxycinnamic aldehyde" "coniferaldehyde")
5-HYDROXY-FERULIC-ACID 5-hydroxyferulate 5-hydroxy ferulic acid 5-hydroxy ferulate
FERULIC-ACID ferulate ("ferulic acid" "3-methoxy-4-hydroxycinnamic acid" "caffeic acid 3-methyl ether" "4-hydroxy-3-methoxycinnamic acid" "3-methoxy-4-hydroxy-trans-cinnamate") ("ferulate" "ferulic acid" "3-methoxy-4-hydroxycinnamic acid" "caffeic acid 3-methyl ether" "4-hydroxy-3-methoxycinnamic acid" "3-methoxy-4-hydroxy-trans-cinnamate")
D-6-P-GLUCONO-DELTA-LACTONE 6-phospho-D-glucono-1,5-lactone ("6-phosphogluconolactone" "D-6-phosphoglucono-δ-lactone" "D-6-P-glucono-δ-lactone" "D-glucono-1,5-lactone-6-phosphate" "D-glucono-δ-lactone-6-phosphate" "D-6-phospho-glucono-δ-lactone") ("6-phosphogluconolactone" "D-6-phosphoglucono-δ-lactone" "D-6-P-glucono-δ-lactone" "D-glucono-1,5-lactone-6-phosphate" "6-phospho-D-glucono-1,5-lactone" "D-6-phospho-glucono-δ-lactone")
AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE 6-hydroxymethyl-7,8-dihydropterin ("2-amino-4-hydroxy-6-hydroxymethyl dihydropteridin" "dihydropterin-CH2OH") ("dihydropterin-CH2OH" "2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine")
GLYCOLALDEHYDE glycolaldehyde ("glycoaldehyde" "2-OH-acetaldehyde" "hydroxyacetaldehyde" "2-hydroxyethanal") ("glycoaldehyde" "2-OH-acetaldehyde" "glycolaldehyde" "hydroxyacetaldehyde" "2-hydroxyethanal")
DIHYDRO-NEO-PTERIN 7,8-dihydro-D-neopterin ("2-amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine" "dihydroneopterin" "2-amino-4-hydroxy-6-(D-erythro)-trihydroxypropyldihydropteridin" "dihydro-neo-pterin" "DHN" "7,8-dihydroneopterin") ("dihydroneopterin" "2-amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine" "dihydro-neo-pterin" "2-amino-4-hydroxy-6-(D-erythro)-trihydroxypropyldihydropteridin")
2-KETO-ISOVALERATE 2-oxoisovalerate ("2-oxo-3-methylbutanoate" "3-methyl-2-oxobutanoate" "α-keto-isovaleric acid" "α-ketoisopentanoic acid" "α-keto-isovalerate" "α-oxoisovalerate" "α-ketovaline" "2-keto-isovalerate" "2-ketovaline" "α-keto-valine" "2-oxoisopentanoate" "2-keto-3-methylbutyric acid") ("2-oxo-3-methylbutanoate" "3-methyl-2-oxobutanoate" "α-keto-isovaleric acid" "α-ketoisopentanoic acid" "α-keto-isovalerate" "α-oxoisovalerate" "α-ketovaline" "2-oxoisovalerate" "2-ketovaline" "α-keto-valine" "2-oxoisopentanoate" "2-keto-3-methylbutyric acid")
CPD-560 S-methyl-5-thio-D-ribose ("S5-methyl-5-thio-D-ribose" "5-methylthio-D-ribose" "MTR" "5-methylthioribose") ("5-methylthioribose" "S5-methyl-5-thio-D-ribose" "5-methylthio-D-ribose" "MTR" "S-methyl-5-thio-D-ribose")
OH-PYR hydroxypyruvate ("β-hydroxypyruvate" "OH-pyruvate" "OH-pyr" "3-hydroxypyruvate") ("OH-pyruvate" "OH-pyr" "3-hydroxypyruvate")
DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR 2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one ("2,5-diamino-6-hydroxy-4-(5-phosphoribosylamino)pyrimidine" "DARP" "2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate" "2,5-diamino-6-(ribosylamino)-4-(3H)-pyrimidinone 5'-phosphate" "2,5-diamino-6-(D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate") ("2,5-diamino-6-hydroxy-4-(5-phosphoribosylamino)pyrimidine" "DARP")
DIHYDROXY-BUTANONE-P 1-deoxy-L-glycero-tetrulose 4-phosphate ("3,4-dihydroxy-2-butanone-4-phosphate" "tetrolose phosphate" "3,4-dihydroxy-2-butanone-4-P" "L-3,4-dihydroxybutan-2-one-4-phosphate") ("3,4-dihydroxy-2-butanone-4-P" "3,4-dihydroxy-2-butanone-4-phosphate" "tetrolose phosphate")
CARBON-MONOXIDE carbon monoxide ("CO" "carbon monooxide") ("CO" "carbon monoxide" "carbon monooxide")
LIPID-IV-A lipid IVA ("2,3,2'3'-Tetrakis(β-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-glucosamine 1,4'-bisphosphate" "2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-glucosamine 1,4'-bisphosphate" "2,3,2',3'-tetrakis-(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-β-D-glucosamine-1,4'-bisphosphate" "[2-N,3-O-bis(3-hydroxytetradecanoyl)-4-O-phosphono-β-D-glucosaminyl]-(1 -> 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl phosphate]" "2-deoxy-2-{[(3R)-3-hydroxypentadecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phosphono-β-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose") ("2,3,2'3'-Tetrakis(β-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-glucosamine 1,4'-bisphosphate" "2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-glucosamine 1,4'-bisphosphate" "2,3,2',3'-tetrakis-(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-β-D-glucosamine-1,4'-bisphosphate" "[2-N,3-O-bis(3-hydroxytetradecanoyl)-4-O-phosphono-β-D-glucosaminyl]-(1 => 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl phosphate]")
BISOHMYR-GLC lipid A disaccharide ("2,3-bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(β-D-1,6)-2,3-bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-β-phosphate" "2,3-bis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-2,3-bis(3-hydroxymyristoyl)-β-D-glucosaminyl 1-phosphate" "2'-3'-diacyl-GlcN(β-1'-6)2,3-diacyl-GlcN-1-P" "2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate" "2,3-bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-β-D-2,3-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl 1-phosphate" "[2-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl]-(1 -> 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl phosphate]" "tetraacyldisaccharide-1-phosphate") ("2,3-bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(β-D-1,6)-2,3-bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-β-phosphate" "2,3-bis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-2,3-bis(3-hydroxymyristoyl)-β-D-glucosaminyl 1-phosphate" "2'-3'-diacyl-GlcN(β-1'-6)2,3-diacyl-GlcN-1-P" "2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate" "2,3-bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-β-D-2,3-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl 1-phosphate" "[2-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl]-(1 => 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl phosphate]")
IMINOASPARTATE α-iminosuccinate NIL α-iminosuccinate
3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P 3-deoxy-D-arabino-heptulosonate-7-phosphate ("3-deoxy-D-arabino-heptulosonate-7-P" "3-deoxy-arabino-heptulosonate 7-phosphate" "3-deoxy-arabino-heptulosonate-7-P" "2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate" "3-deoxy-D-arabino-hept-2-ulosonate-7-phosphate" "3-deoxy-arabino-heptulonate 7-phosphate" "DAHP") ("3-deoxy-D-arabino-heptulosonate-7-P" "3-deoxy-arabino-heptulosonate 7-phosphate" "3-deoxy-arabino-heptulosonate-7-P" "2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate" "3-deoxy-D-arabino-hept-2-ulosonate-7-phosphate" "3-deoxy-arabino-heptulonate 7-phosphate")
DIHYDRONEOPTERIN-P 7,8-dihydroneopterin phosphate ("dihydroneopterin monophosphate" "dihydroneopterin-P" "2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate" "dihydroneopterin phosphate") ("Dihydroneopterin monophosphate" "dihydroneopterin-p" "2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate")
CPD-7064 primary fluorescent chlorophyll catabolite ("pFCC" "(82R,12S,13S)-12-(2-carboxyethyl)-3-ethyl-1-formyl-82-(methoxycarbonyl)-2,7,13,17-tetramethyl-18-vinyl-12,13-dihydro-8,10-ethanobilene-b-81,19(16H)-dione") ("(82R,12S,13S)-12-(2-carboxyethyl)-3-ethyl-1-formyl-82-(methoxycarbonyl)-2,7,13,17-tetramethyl-18-vinyl-12,13-dihydro-8,10-ethanobilene-b-81,19(16H)-dione" "pFCC" "primary fluorescent catabolite")
CPD-9923 (1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate ("SHCHC" "(1R,6R)-2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate" "2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID") ("SHCHC" "(1R,6R)-2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate")
CPD-558 pimeloyl-CoA ("6-carboxyhexanoyl-CoA" "pimelyl-CoA") ("pimelyl-CoA" "6-carboxyhexanoyl-CoA" "pimeloyl-CoA")
3-HYDROXY-PROPIONATE 3-hydroxypropionate ("hydroxypropionate" "3-hydroxypropanoate" "β-hydroxypropionate" "3-hydroxypropanoic acid" "3-hydropropionic acid" "hydracrylic acid") ("hydroxypropionate" "3-Hydroxypropanoate" "β-hydroxypropionate" "3-Hydroxypropanoic acid" "3-Hydropropionic acid" "Hydracrylic acid")
2K-4CH3-PENTANOATE 4-methyl-2-oxopentanoate ("2-keto-4-methyl-pentanoate" "2-oxoisocaproate" "2-oxo-4-methylpentanoate" "α-ketoisocaproate" "α-oxoisocaproate" "2-ketoisocaproate") ("2-keto-isocaproate" "2-oxoisocaproate" "2-keto-4-methyl-pentanoate" "4-methyl-2-oxopentanoate" "2-oxo-4-methylpentanoate" "α-ketoisocaproate" "α-oxoisocaproate")
CPD-6972 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA ("succinylbenzoyl-CoA" "2-succinylbenzoyl-CoA" "2-(3'-carboxypropionyl)benzoyl-CoA" "o-succinylbenzoyl-CoA") ("2-(3'-carboxypropionyl)benzoyl-CoA" "succinylbenzoyl-CoA" "2-succinylbenzoyl-CoA" "o-succinylbenzoyl-CoA" "4-(2'-carboxyphenyl)-4-oxobutyryl-CoA")
5-OXOPROLINE 5-oxoproline ("pyrrolidone-COO" "pyrrolidone-carboxylate" "L-5-pyrrolidone-2-carboxylic acid" "L-pyroglutamic acid" "5-oxo-L-proline" "pyroglutamic acid" "pyroglutamate" "5-pyrrolidone-2-carboxylic acid") ("L-5-pyrrolidone-2-carboxylic acid" "L-pyroglutamic acid" "5-oxo-L-proline" "pyroglutamic acid" "pyroglutamate" "5-pyrrolidone-2-carboxylic acid")
PHOSPHORYL-ETHANOLAMINE phosphoryl-ethanolamine ("phosphoethanolamine" "ethanolamine phosphate" "O-phosphorylethanolamine" "O-phosphoethanolamine") ("phosphoethanolamine" "ethanolamine phosphate" "O-Phosphorylethanolamine" "O-Phosphoethanolamine")
BISOHMYR-GLUCOSAMINYL-1P 2,3-bis[(3R)-3-hydroxymyristoyl]-β-D-glucosaminyl 1-phosphate ("2,3-diacyl-glucosamine 1-phosphate" "2,3-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl 1-phosphate" "2,3-bis(β-hydroxymyristoyl)-β-D-glucosaminyl 1-phosphate" "lipid X" "2,3-bis(3-hydroxymyristoyl)-β-D-glucosaminyl 1-phosphate") ("2,3-diacyl-glucosamine 1-phosphate" "2,3-bis(3-hydroxytetradecanoyl)-β-D-glucosaminyl 1-phosphate" "2,3-bis(β-hydroxymyristoyl)-β-D-glucosaminyl 1-phosphate" "lipid X")
DI-H-OROTATE (S)-dihydroorotate ("(S)-4,5-dihydroorotate" "(S)-4,5-dihydroorotic acid" "(S)-hydroorotic acid" "(S)-di-H-orotate" "L-dihydroorotate" "4,5-dihydro-L-orotate" "L-4,5-dihydroorotate" "(S)-4-pyrimidinecarboxylic acid") ("4,5-dihydroorotate" "4,5-dihydroorotic acid" "hydroorotic acid" "(S)-dihydroorotate" "di-H-orotate" "L-dihydroorotate" "5,6-dihydroorotate" "L-4,5-dihydroorotate" "4-pyrimidinecarboxylic acid" "hexahydro-2,6-dioxo-")
CPD-6442 methylsalicylate ("salicylate methyl ester" "MeSA") NIL
CPD-9866 2-nonaprenyl-6-methoxyphenol NIL 2-nonaprenyl-6-methoxyphenol
OXIDIZED-GLUTATHIONE glutathione disulfide ("glutathione oxidized" "glutathione ox" "GSSG" "glutathione" "GSH" "oxidized glutathione") ("glutathione oxidized" "glutathione ox" "GSSG" "glutathione" "GSH" "ox. glutathione" "oxidized glutathione")
P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE 5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole ("(S)-2-[5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate" "1-(5-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole" "5'-P-ribosyl-4-(N-succinocarboxamide)-5-aminoimidazole" "5'-p-Ribosyl-4-(N-succinocarboxamide)-5-amino imidazole" "1-(5'-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole" "SAICAR") ("(S)-2-[5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate" "(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate" "1-(5-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole" "5'-P-ribosyl-4-(N-succinocarboxamide)-5-aminoimidazole" "5'-p-Ribosyl-4-(N-succinocarboxamide)-5-amino imidazole" "1-(5'-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole" "SAICAR")
S-ADENOSYLMETHIONINAMINE S-adenosyl-L-methioninamine ("S-adenosyl-(5')-3-methylthiopropylamine" "dcSAM" "decarboxylated AdoMet" "(5-deoxy-5-adenosyl)(3-aminopropyl) methylsulfonium salt" "decarboxylated SAM" "S-adenosylmethioninamine" "decarboxylated S-adenosylmethionine" "dAdoMet" "S-methyl-S-adenosyl homocysteamine" "3-amino-propyl-S-adenosine") ("decarboxylated AdoMet" "(5-deoxy-5-adenosyl)(3-aminopropyl) methylsulfonium salt" "decarboxylated SAM" "S-adenosylmethioninamine" "decarboxylated S-adenosylmethionine" "dAdoMet" "S-methyl-S-adenosyl homocysteamine" "3-amino-propyl-S-adenosine")
MALONATE-S-ALD malonate semialdehyde ("3-oxopropanoate" "malonate-S-ald" "malonic semialdehyde") ("3-oxopropanoate" "malonate-S-ald")
4-COUMAROYLQUINATE trans-5-O-(4-coumaroyl)-D-quinate ("4-coumaroylquinate" "trans-(p-coumaroyl)-quinate" "trans-5-O-(4-coumaroyl)quinate") ("trans-5-O-(4-coumaroyl)quinate" "4-coumaroylquinate" "trans-(p-coumaroyl)-quinate" "trans-5-O-(4-coumaroyl)quinate")
COPROPORPHYRINOGEN_III coproporphyrinogen III NIL coproporphyrinogen
3-UREIDO-PROPIONATE 3-ureidopropionate ("3-ureidopropanoate" "β-ureidopropionic acid" "N-carbamoyl-β-alanine") ("N-carbamoyl-β-alanine" "3-Ureidopropanoate" "β-Ureidopropionic acid" "N-Carbamoyl-β-alanine")
QUINATE L-quinate ("(-)-quinic acid" "(-)-quinate") ("(-)-quinate" "(-)-quinic acid" "L-quinate" "quinic acid")
5-P-BETA-D-RIBOSYL-AMINE 5-phospho-β-D-ribosyl-amine ("5-P-β-D-ribosyl-amine" "PRA" "5-phosphoribosylamine") ("5-phospho-β-D-ribosyl-amine" "5-P-β-D-ribosyl-amine" "PRA" "5-phosphoribosylamine")
CPD-9245 palmitoleate ("palmitoleic acid" "(9Z)-Hexadecenoic acid" "cis-9-Hexadecenoic acid") ("palmitoleic acid")
CPD-7100 (2S)-2-isopropyl-3-oxosuccinate 2-isopropyl-3-oxosuccinate (2S)-2-isopropyl-3-oxosuccinate
2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE (2R,3S)-3-isopropylmalate ("2-D-threo-hydroxy-3-carboxy-isocaproate" "3-carboxy-2-hydroxy-4-methylpentanoate" "β-isopropylmalate" "3-isopropylmalate") ("(2R,3S)-3-isopropylmalate" "2-D-threo-hydroxy-3-carboxy-isocaproate" "3-carboxy-2-hydroxy-4-methylpentanoate" "β-isopropylmalate")
L-CITRULLINE L-citrulline ("Nγ-carbamylornithine" "α-amino-γ-ureidovaleric acid" "γureidonorvaline" "N5-(Aminocarbonyl)-L-ornithine") ("Nγ-carbamylornithine" "α-amino-γ-ureidovaleric acid" "γureidonorvaline" "N5-(Aminocarbonyl)-L-ornithine" "L-citrulline")
THIAMINE-PYROPHOSPHATE thiamine diphosphate ("TDP" "thiamine pyrophosphate" "Thaimine pyrophosphate" "TPP" "thiamin-PPi" "thiamin pyrophosphate" "thiamin diphosphate" "thiamine-PPi" "ThPP") ("TDP" "thiamine diphosphate" "thiamine pyrophosphate" "Thaimine pyrophosphate" "TPP" "thiamin-PPi" "thiamin pyrophosphate" "thiamin diphosphate" "thiamine-PPi" "ThPP")
CPD-499 mevalonate-5-phosphate ("(R)-5-Phosphomevalonic acid" "mevalonate-5P" "(R)-5-Phosphomevalonate" "(R)-Mevalonic acid 5-phosphate" "(R)-5-Phosphomevaloonic acid" "mevalonate-P" "P-mevalonate" "5-phosphomevalonate") ("(R)-5-Phosphomevalonic acid" "mevalonate-5-phosphate" "(R)-5-Phosphomevalonate" "(R)-Mevalonic acid 5-phosphate" "(R)-5-Phosphomevaloonic acid" "mevalonate-5-P" "mevalonate-P" "P-mevalonate" "5-phosphomevalonate")
CPD-313 propane-1,3-diamine ("trimethylenediamine" "1,3-propanediamine" "1,3-diaminopropane" "1,3-DAP") ("1,3-diaminopropane" "Trimethylenediamine" "1,3-Propanediamine" "Propane-1,3-diamine" "1,3-DAP")
CPD-85 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one ("1,2-dihydroxy-3-keto-5-methylthiopentene anion" "1,2-dihydroxy-3-keto-5-methylthiopentane" "1,2-dihydroxy-3-keto-5-methylthiopentene") ("1,2-dihydroxy-5-(methylthio)pent-1-en-3-one" "1,2-dihydroxy-3-keto-5-methylthiopentene anion" "1,2-dihydroxy-3-keto-5-methylthiopentane")
PANTETHEINE-P 4'-phosphopantetheine ("phosphopantotheine" "pantotheine-4'-phosphate" "pantetheine 4'-phosphate" "phosphopantetheine") ("pantetheine 4'-phosphate" "phosphopantotheine" "pantotheine-4'-phosphate" "4'-phosphopantetheine" "phosphopantetheine")
4-PHOSPHONOOXY-THREONINE 4-phospho-hydroxy-L-threonine ("L-threo-3-hydroxy-homoserine phosphate" "4-phosphonooxy-L-threonine" "4-phospho-hydroxy-threonine" "4-(phosphonooxy)-threonine" "O-phospho-4-hydroxy-L-threonine" "phospho-hydroxy-threonine" "4-(Phosphonooxy)-L-threonine") ("4-phosphonooxy-L-threonine" "4-phospho-hydroxy-threonine" "4-phospho-hydroxy-L-threonine" "O-phospho-4-hydroxy-L-threonine" "phospho-hydroxy-threonine" "4-(Phosphonooxy)-L-threonine")
3-CARBOXY-3-HYDROXY-ISOCAPROATE (2S)-2-isopropylmalate ("3-hydroxy-4-methyl-3-carboxypentanoate" "3-carboxy-3-hydroxy-4-methylpentanoate" "3-carboxy-3-hydroxy-isocaproate" "α-isopropylmalate") ("3-hydroxy-4-methyl-3-carboxypentanoate" "3-carboxy-3-hydroxy-4-methylpentanoate" "3-carboxy-3-hydroxy-isocaproate" "α-isopropylmalate" "(2S)-2-isopropylmalate")
PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate ("1-(5-phosphoribosyl)-4-carboxy-5-aminoimidazole" "5'-P-ribosyl-4-carboxy-5-aminoimidazole" "5'-phosphoribosyl-4-carboxy-5-aminoimidazole" "5-phosphoribosyl-4-carboxy-5-aminoimidazole" "1-(5'-phosphoribosyl)-5-amino-4-imidazole carboxylate" "1-(5'-phosphoribosyl)-4-carboxy-5-aminoimidazole" "CAIR" "4-carboxyaminoimidazole ribonucleotide" "phosphoribosyl-carboxy-aminoimidazole") ("1-(5-phosphoribosyl)-4-carboxy-5-aminoimidazole" "5'-P-ribosyl-4-carboxy-5-aminoimidazole" "5'-phosphoribosyl-4-carboxy-5-aminoimidazole" "5-phosphoribosyl-4-carboxy-5-aminoimidazole" "1-(5'-phosphoribosyl)-5-amino-4-imidazole carboxylate" "1-(5'-phosphoribosyl)-4-carboxy-5-aminoimidazole" "CAIR" "5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate" "phosphoribosyl-carboxy-aminoimidazole")
CPD-9451 2-isopropylmaleate ("β-isopropylmaleate" "2-isopropylmaleic acid") ("2-Isopropylmaleate" "β-isopropylmaleate" "2-isopropylmaleic acid")
CPD-602 5-amino-6-(5-phospho-D-ribosylamino)uracil ("5-amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate" "5-amino-6-(5'-phosphoribosylamino)uracil") ("5-amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate")
CPD-1086 5-amino-6-(5-phospho-D-ribitylamino)uracil ("5-amino-6-(5'-phosphoribitylamino)uracil" "5-amino-6-(5-phosphoribitylamino)uracil" "5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate") ("5-amino-6-(5'-phosphoribitylamino)uracil" "5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate")
CPD-488 β-L-fucose 1-phosphate ("L-Fucose 1-phosphate" "6-deoxy-L-galactose 1-phosphate" "L-fucopyranose 1-(dihydrogen phosphate)") ("L-Fucose 1-phosphate" "β-L-fucose 1-phosphate" "6-deoxy-L-galactose 1-phosphate")
WATER H2O ("H20" "hydrogen oxide" "water") ("H2O" "H20" "hydrogen oxide" "water")
PHOSPHORYL-CHOLINE phosphoryl-choline ("choline-phosphate" "phosphocholine" "O-phosphocholine") ("choline phosphate" "phosphocholine" "N-Trimethyl-2-aminoethylphosphonate" "O-Phosphocholine")
PANTOTHENATE (R)-pantothenate ("vitamin B5" "(R)-pantothenic acid" "D-pantothenic acid") ("(R)-pantothenate" "vitamin B5" "pantothenic acid" "D-pantothenic acid")
L-PANTOATE (R)-pantoate ("pantoate" "L-pantoate") ("pantoate" "(R)-pantoate")
NICOTINATE_NUCLEOTIDE nicotinate mononucleotide ("nicotinate dinucleotide" "β-nicotinate-D-nucleotide" "NaMN" "nicotinic acid nucleotide" "nicotinic acid mononucleotide" "nicotinic acid ribonucleotide" "nicotinate-D-ribonucleotide" "nicotinate ribonucleotide" "nicotinate nucleotide" "deamido-nicotinamide mononucleotide" "deamido-NMN" "β-nicotinate D-ribonucleotide") ("nicotinate nucleotide" "nicotinate dinucleotide" "β-nicotinate-D-nucleotide" "NaMN" "nicotinic acid nucleotide" "nicotinic acid mononucleotide" "nicotinic acid ribonucleotide" "nicotinate-D-ribonucleotide" "nicotinate ribonucleotide" "nicotinate mononucleotide" "deamido-nicotinamide mononucleotide" "deamido-NMN" "β-nicotinate D-ribonucleotide")
CPD-468 2-aminoadipate ("L-aminoadipic acid" "L-aminoadipate" "L-2-aminohexanedioate" "2-aminoadipic acid" "hexanedioic acid, 2-amino-" "α-aminoadipate" "L-α-aminoadipate" "L-α-aminoadipic acid" "L-2-aminoadipic acid" "L-2-aminoadipate") ("2-aminoadipic acid" "hexanedioic acid, 2-amino-" "2-aminoadipate" "L-α-aminoadipate" "L-α-aminoadipic acid" "L-2-aminoadipic acid" "L-2-aminoadipate")
XANTHOSINE-5-PHOSPHATE xanthosine-5-phosphate ("(9-D-ribosylxanthine)-5'-phosphate" "XMP" "xanthosine-5'-phosphate" "xanthosine-5-P" "xanthosine-5'-P" "9-(5-phospho-β-D-ribosyl)xanthine") ("xanthosine-5-phosphate" "(9-D-ribosylxanthine)-5'-phosphate" "XMP" "xanthosine-5'-phosphate" "xanthosine-5-P" "xanthosine-5'-P" "9-(5-phospho-β-D-ribosyl)xanthine")
CANAVANINE L-canavanine ("canavanine" "2-amino-4-(guanidinooxy)butyrate" "2-amino-4-(guanidinooxy)butyric acid") ("canavanine" "L-canavanine" "2-amino-4-(guanidinooxy)butyrate" "2-amino-4-(guanidinooxy)butyric acid")
ENT-KAUR-16-EN-19-AL ent-kaurenal ent-kaur-16-en-19-al NIL
ENT-KAUR-16-EN-19-OL ent-kaurenol ent-kaur-16-en-19-ol NIL
CPD-520 quercetin ("3,5,7,3',4'-pentahydroxyflavone" "3,5,7,3',4'-pentahydroflavone") ("quercetin" "3,5,7,3',4'-pentahydroflavone" "3,5,7,3',4'-Pentahydroxyflavone")
APS adenosine 5'-phosphosulfate ("adenylyl-sulfate" "APS" "adenosine phosphosulfate" "adenosine 5'-sulphatophosphate") ("Adenosine 5'-phosphosulfate" "adenylyl-sulfate" "APS" "adenosine phosphosulfate" "adenosine 5'-sulphatophosphate")
DELTA3-ISOPENTENYL-PP isopentenyl diphosphate ("isopentenyl-pp" "isopentenyl pyrophosphate" "IPP" "δ(3)-isopentenyl-PP" "Δ3-isopentenyl-PP") ("isopentenyl diphosphate" "isopentenyl-pp" "isopentenyl pyrophosphate" "IPP" "δ(3)-isopentenyl-PP" "Δ3-isopentenyl-PP")
CPD-641 mevalonate-diphosphate ("mevalonate-5-PP" "(R)-5-Diphosphomevalonate") ("mevalonate-diphosphate" "(R)-5-Diphosphomevalonate")
2-ACETO-2-HYDROXY-BUTYRATE 2-aceto-2-hydroxy-butanoate ("α-aceto-α-hydroxybutyrate" "acetohydroxybutyrate" "acetohydroxybutanoate" "2-aceto-2-hydroxy-butyrate") ("α-aceto-α-hydroxybutyrate")
2-ACETO-LACTATE (S)-2-acetolactate ("(S)-2-hydroxy-2-methyl-3-oxobutanoate" "α-acetolactate" "(2S)-2-hydroxy-2-methyl-3-oxobutanoate") ("(S)-2-hydroxy-2-methyl-3-oxobutanoate" "α-acetolactate")
SHIKIMATE-5P shikimate-3-phosphate ("shikimate-5-phosphate" "shikimate-5-P" "3-phosphoshikimate" "shikimate-3-P") ("shikimate-5-phosphate" "shikimate-5-P" "3-phosphoshikimate" "5-phosphoshikimate" "shikimate-3-P")
5-METHYLTHIOADENOSINE S-methyl-5'-thioadenosine ("methylthioadenosine" "5'-methylthioadenosine" "5'-S-methyl-5'-thioadenosine" "MTA" "S-methyl-adenosine") ("S-methyl-adenosine" "5'-S-methyl-5'-thioadenosine" "5'-Deoxy-5'-(methylthio)adenosine" "S-methyl-5'-thioadenosine" "methylthioadenosine" "5'-methylthioadenosine" "5'-S-methyl-5'-thioadenosine" "MTA" "S-methyl-adenosine")
L-CYSTATHIONINE L-cystathionine ("cystathionine") ("DL-cystathionine" "L-cystathionine")
ACETYLSERINE O-acetyl-L-serine ("O3-acetyl-L-serine" "acetylserine" "O-acetylserine") ("O3-acetyl-L-serine" "O3-acetyl-L-serine" "acetylserine" "O-acetylserine")
CPD-444 5-methylthioribose-1-phosphate ("S5-methyl-5-thio-D-ribose-1-phosphate" "5-methylthio-D-ribose-1-phosphate" "5-MTR-1-P" "1-phosphomethylthioribose" "1-phospho-5-S-methylthioribose" "1-PMTR" "1-phospho-5-S-methylthio-α-D-ribofuranoside" "S-methyl-5-thio-α-D-ribose 1-phosphate" "S-methyl-5-thio-D-ribose 1-phosphate") ("5-methylthio-5-deoxy-D-ribose-1-phosphate" "S5-methyl-5-thio-D-ribose-1-phosphate" "5-methylthio-D-ribose-1-phosphate" "5-MTR-1-P" "1-phosphomethylthioribose" "1-phospho-5-S-methylthioribose" "1-PMTR" "1-phospho-5-S-methylthio-α-D-ribofuranoside" "S-methyl-5-thio-α-D-ribose 1-phosphate" "S-methyl-5-thio-D-ribose 1-phosphate")
DIHYDRONEOPTERIN-P3 7,8-dihydroneopterin triphosphate ("6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin" "6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin" "6-(D-erythro-1',2',3'-trihydroxypropyl)-7,8-dihydropterin-3'-triphosphate" "7,8-dihydroneopterin 3'-triphosphate" "2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate" "dihydroneopterin triphosphate" "H2NTP") ("7,8-dihydroneopterin 3'-triphosphate" "6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin" "6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin" "6-(D-erythro-1',2',3'-trihydroxypropyl)-7,8-dihydropterin-3'-triphosphate" "H2NTP" "2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate" "dihydroneopterin triphosphate")
CPD-1102 indole-3-acetyl-β-1-D-glucose ("1-O-indol-3-ylacetyl-β-D-glucose" "IAA-Glc" "indole-3-acetyl-glucose" "Indole-3-acetyl-beta-1-D-glucoside" "IAA-glucose") ("1-O-indol-3-ylacetyl-β-D-glucose")
HS hydrogen sulfide ("sulfide" "H2S") ("hydrogen sulfide" "sulfide" "H2S")
THZ-P 4-methyl-5-(2-phosphonooxyethyl)thiazole ("4-4-methyl-5-(2-phosphonooxyethyl)-thiazole" "4-methyl-5-(2-phosphoethyl)-thiazole" "THZ-P" "4-methyl-5-(β-hydroxyethyl)thiazole phosphate") ("HET-P" "4-4-methyl-5-(2-phosphonooxyethyl)-thiazole" "4-methyl-5-(2-phosphoethyl)-thiazole" "THZ-P" "4-Methyl-5-(2-phosphono-oxyethyl)-thiazole")
CPD-7671 methanethiol ("methylsulfanium" "methylsulfide anion" "methyl-mercaptan" "methylmercaptan" "mercaptomethane" "thiomethane" "methyl sulfhydrate" "thiomethyl alcohol") ("methyl-mercaptan" "methanethiol" "methylmercaptan" "mercaptomethane" "thiomethane" "methyl sulfhydrate" "thiomethyl alcohol")
HSCN thiocyanate ("thiocyanic acid" "hydrogen thiocyanate") ("thiocyanic acid" "thiocyanate" "hydrogen thiocyanate")
ACET acetate ("acetic acid" "ethanoic acid") ("acet" "acetic acid" "ethanoic acid")
D-LACTATE (R)-lactate ("(R)-2-hydroxypropanate" "D-lactate") ("(R)-2-hydroxypropanate" "(R)-lactate" "lactate")
L-LACTATE (S)-lactate ("L-lactate" "L(+)-lactate" "(S)-lactate") ("lactic acid" "L(+)-lactate" "(S)-lactate" "L-lactate" "lactasol" "lac" "2-hydroxypropanoic acid" "2-hydroxypropionic acid")
DODECANOATE laurate ("dodecanoic acid" "n-dodecanoic acid" "lauric acid" "dodecanoate") ("n-dodecanoic acid" "tin II 2-ethylhexanoate" "dodecanoic acid" "dodecylcarboxylate" "lauric acid" "laurostearic acid" "dodecoic acid" "dodecylic acid" "duodecylic acid" "n-dodecanoic acid" "1-undecanecarboxylic acid" "dodecanoate (n-C12:0)" "dodecanoate")
12-OXO-TRANS-10-DODECENOATE traumatin ("12-oxo-t-10-dodecenoate" "12-oxo-trans-10-dodecenoate" "Delta(10)-ODA" "12-oxo-10E-dodecenoic acid") ("12-oxo-10E-dodecenoic acid" "Delta(10)-ODA" "12-oxo-t-10-dodecenoate" "traumatin")
OLEATE-CPD oleate ("octadecenoate (n-C18:1)" "oleic acid" "9-octadecenoic acid" "ω-3 fatty acid" "omega fatty acid") ("omega fatty acid" "ω-3 fatty acid" "oleinic acid" "(9Z)-octadec-9-enoate" "cis-9-Octadecenoic acid" "octadecenoate (n-C18:1)" "oleic acid" "9-octadecenoic acid")
CPD-730 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoate ("3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoic acid" "oxopentenyl-cyclopentane-octanoic acid" "8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate" "3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoate" "OPC8" "OPC-8:0") ("OPC8" "3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoate" "3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoic acid" "oxopentenyl-cyclopentane-octanoic acid" "8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate")
ARACHIDIC_ACID arachidate ("icosanoic acid (n-C20:0)" "arachidic acid" "icosanoate" "icosanoic acid" "eicosanoate" "eicosanoic acid") ("arachidic acid" "icosanoate" "icosanoic acid" "eicosanoate" "eicosanoic acid")
LINOLENIC_ACID α-linolenate ("(9,12,15)-linolenic acid" "linolenate" "9Z,12Z,15Z-octadecatrienoate" "9Z,12Z,15Z-octadecatrienoic acid" "(9,12,15)-linolenate") ("linolenate" "linolenic acid" "(9,12,15)-linolenic acid" "α-linolenic acid" "9Z,12Z,15Z-octadecatrienoate" "9Z,12Z,15Z-octadecatrienoic acid" "(9,12,15)-linolenate")
13-HYDROPEROXYOCTADECA-911-DIENOATE (9Z,11E)-(13S)-13-hydroperoxyoctadeca-9,11-dienoate ("13(S)-hydroperoxy-9(Z),11(E)-octadecadienoate" "13-HPOD") ("13-HPOD" "(9Z,11E)-(13S)-13-hydroperoxyoctadeca-9,11-dienoate" "13(S)-hydroperoxyoctadeca-9,11-dienoate")
LINOLEIC_ACID linoleate ("cis,cis-9,12-octadecadienoate" "9-cis,12-cis-octadecadienoate" "linoleic acid" "9,12-linoleic acid" "(9Z,12Z)-octadeca-9,12-dienoate" "ω-6 fatty acid" "omega-6 fatty acid") ("omega-6 fatty acid" "ω-6 fatty acid" "cis,cis-9,12-octadecadienoate" "9-cis,12-cis-octadecadienoate" "linoleic acid" "linoleate" "9,12-linoleic acid" "(9Z,12Z)-octadeca-9,12-dienoate")
BUTYRIC_ACID 2-butanoate ("Butyrate (n-C4:0)" "butyrate" "butyric acid" "butanoic acid" "ethylacetic acid" "butanoate" "1-propanecarboxylic acid" "propylformic acid") ("butyrate" "Butyrate (n-C4:0)" "2-butanoate" "butyric acid" "butanoic acid" "ethylacetic acid" "butanoate" "1-propanecarboxylic acid" "propylformic acid")
18-OXOOLEATE 18-oxo-oleate ("18-oxo-octadec-9-enoic acid" "18-oxo-9Z-octadecenoate") ("18-oxo-9Z-octadecenoate" "18-oxo-octadec-9-enoic acid" "18-oxooctadec-9-enoic acid")
MAL (S)-malate ("(S)-malate" "mal" "L-mal" "(S)-malic acid" "L-apple acid" "L-malic acid" "hydroxysuccinic acid" "hydroxybutanedioic acid" "malic acid" "L-malate" "malate") ("malate" "L-malic acid" "L-apple acid" "(S)-malic acid" "hydroxysuccinic acid" "hydroxybutanedioic acid" "malic acid" "L-mal" "mal" "L-malate" "(S)-malate" "DL-malic acid")
P-HYDROXY-PHENYLPYRUVATE 4-hydroxyphenylpyruvate ("p-hydroxyphenylpyruvic acid" "3-(4-hydroxyphenyl)pyruvate" "hydroxyphenylpyruvate" "p-hydroxyphenylpyruvate") ("p-hydroxyphenylpyruvate" "p-hydroxyphenylpyruvic acid" "3-(4-hydroxyphenyl)pyruvate" "hydroxyphenylpyruvate" "4-hydroxyphenylpyruvate")
CHLOROPHYLL-A chlorophyll a NIL chlorophyll a
CHLOROPHYLLIDE-A chlorophyllide a ("chlorophyllide a" "chlorophyllide") ("chlorophyllide" "chlorophyllide a" "chlorophyllide a")
PROTOHEME protoheme IX ("ferroprotoporphyrin IX" "protoheme" "heme b") ("protoheme IX" "heme b" "heme" "hemin" "ferroprotoporphyrin" "protoheme" "heme b" "hematin" "haemin")
MG-PROTOPORPHYRIN Mg-protoporphyrin ("Mg-protoporphyrin IX" "magnesium protoporphyrin" "MgP") ("Mg-protoporphyrin IX" "Mg-protoporphyrin" "magnesium protoporphyrin" "MgP")
MG-PROTOPORPHYRIN-MONOMETHYL-ESTER magnesium-protoporphyrin IX 13-monomethyl ester ("Mg-protoporphyrin monomethyl ester" "magnesium protoporphyrin monomethyl ester" "MgPMME" "magnesium-protoporphyrin IX 13-methyl ester" "MgP monomethyl ester") ("magnesium-protoporphyrin IX 13-monomethyl ester" "Mg-protoporphyrin monomethyl ester" "magnesium protoporphyrin monomethyl ester" "MgPMME" "magnesium-protoporphyrin IX 13-methyl ester" "MgP monomethyl ester")
CHLOROPHYLL-B chlorophyll b NIL chlorophyll b
2-PG 2-phospho-D-glycerate ("2-phospho-(D)-glycerate" "2-phospho-(R)-glycerate" "2-phospho-D-glyceric acid" "2-P-D-glycerate" "D-Glycerate 2-phosphate") ("2-phospho-D-glyceric acid" "2-phospho-(R)-glycerate" "2-phospho-(D)-glycerate" "2-PGA" "phosphoglycerate" "2-phosphoglyceric acid" "2-PG" "2-P-glycerate" "glycerate 2-phosphate" "2-phospho-D-glycerate" "2-P-D-glycerate" "D-Glycerate 2-phosphate")
GLYCERATE D-glycerate ("D-glycerate" "(R)-glycerate" "glycerate") ("glycerate" "(R)-glycerate" "D-glycerate")
DPG 1,3-bisphospho-D-glycerate ("3-phospho-D-glyceroyl-phosphate" "3-phosphoglyceroyl-P" "P-glyceroyl-P" "phosphoglyceroyl-P" "3-phosphoglyceroyl-phosphate" "3-P-glyceroyl-P" "DPG" "13-DPG" "glycerate 1,3-bisphosphate") ("glycerate 1,3-diphosphate" "3-phospho-D-glyceroyl-phosphate" "3-phosphoglyceroyl-P" "P-glyceroyl-P" "phosphoglyceroyl-P" "3-phosphoglyceroyl-phosphate" "3-P-glyceroyl-P" "DPG" "13-DPG" "glycerate 1,3-bisphosphate" "1,3-biphosphoglycerate")
G3P 3-phospho-D-glycerate ("3-phospho-(R)-glycerate" "3-phospho-D-glyceric acid" "3-P-D-glycerate" "D-glycerate-3-P" "D-glycerate 3-phosphate" "3-phosphoglycerate") ("D-glycerate-3-P" "3-phospho-D-glyceric acid" "3-phospho-(R)-glycerate" "3-phospho-glyceric acid" "G3P" "3-PG" "3-P-glycerate" "glycerate 3-phosphate" "3-phospho-D-glycerate" "3-P-D-glycerate" "glycerate-3-P" "D-Glycerate 3-phosphate" "phosphoglycerate" "3-PGA")
CPD-7063 red chlorophyll catabolite ("RCC" "red bilin" "(7S,8S,101R)-8-(2-carboxyethyl)-17-ethyl-19-formyl-101-(methoxycarbonyl)-3,7,13,18-tetramethyl-2-vinyl-8,23-dihydro-7H-10,12-ethanobiladiene-ab-1,102(21H)-dione") ("(7S,8S,101R)-8-(2-carboxyethyl)-17-ethyl-19-formyl-101-(methoxycarbonyl)-3,7,13,18-tetramethyl-2-vinyl-8,23-dihydro-7H-10,12-ethanobiladiene-ab-1,102(21H)-dione" "RCC" "red chlorophyll catabolite" "red bilin")
PROTOPORPHYRINOGEN protoporphyrinogen IX ("protoporphyrinogen") ("protoporphyrinogen IX" "protoporphyrinogen")
UROPORPHYRINOGEN-III uroporphyrinogen-III uroporphyrinogen III NIL
CH3-MALONATE-S-ALD (S)-methylmalonate-semialdehyde ("(S)-2-methyl-3-oxopropanoate" "(S)-ch3-malonate-semialdehyde") ("2-methyl-3-oxopropanoate" "CH3-malonate-S-ald" "ch3-malonate-semialdehyde")
PHENYL-PYRUVATE keto-phenylpyruvate ("α-ketohydrocinnamic acid" "3-phenyl-2-oxopropanoate" "2-keto-phenyl-pyruvate") ("phenylpyruvate" "phenylpyruvic acid" "α-ketohydrocinnamic acid" "3-phenyl-2-oxopropanoate" "keto-phenylpyruvate" "2-keto-phenyl-pyruvate")
OXOPENTENOATE 2-oxopentenoate ("2-oxo-4-pentenoate" "2-oxopent-4-enoate" "2-keto-4-pentenoate" "oxopent-4-enoate" "2-keto-4-pentenoic acid" "2-ketopent-4-enoic acid") ("2-oxopent-4-enoate" "2-keto-4-pentenoate" "oxopent-4-enoate" "2-keto-4-pentenoic acid" "2-ketopent-4-enoic acid")
FE+2 Fe2+ ("Fe+2" "Fe++" "ferrous iron" "Fe+2" "Fe2+" "ferrous ion" "fe(ii)") ("ferrous ion" "Fe(II)" "Fe+2" "Fe++" "ferrous iron" "Fe+2" "Fe2+")
AMMONIUM ammonium ("NH4+") ("NH4+" "ammonium")
SUPER-OXIDE superoxide ("superoxide anion" "peroxide radical" "O2-") ("Superoxide anion" "peroxide radical" "O2(.-)" "superoxide")
NITRATE nitrate ("NO3" "NO3-") ("NO3-" "NO3" "nitrate")
NITRITE nitrite ("NO2" "NO2-") ("nitrite" "NO2" "NO2-")
SO3 sulfite ("HSO3-" "HSO3" "bisulfite" "SO3" "SO3-2") ("sulfite" "HSO3-" "HSO3" "bisulfite" "SO3" "SO3-2")
CPD-7046 S2- ("sulfanediide" "sulfide(2-)" "sulfur(2-)") NIL
SULFATE sulfate ("sulfuric acid" "H2SO4" "sulphate" "SO4-2" "SO42-" "SO4--") ("H2SO4" "sulfuric acid" "sulfate" "sulphate" "SO4-2" "SO42-" "SO4--")
AMP-GROUP AMP group O-adenosine-5'-phosphate NIL
undecaprenyl all-trans-undecaprenyl group all-trans-undecaprenyl NIL
2-TRANS6-TRANS-FARNESAL 2-trans-6-trans-farnesal ("(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal" "(2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trienal" "(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienal" "E,E-farnesal") ("2-trans-6-trans-farnesal" "(2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trienal" "(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal" "(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal" "(2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trienal" "(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienal" "E,E-farnesal")
CIS-3-HEXENAL cis-3-hexenal (3Z)-hexenal NIL
HEXANAL hexanal hexaldehyde NIL
BUTANAL butanal ("1-butanal" "butyraldehyde" "n-butyraldehyde") ("butyraldehyde" "1-butanal" "butanal" "n-butyraldehyde")
GERANIAL geranial ("citral" "geranialdehyde" "geranal" "trans-citral") ("citral" "geranialdehyde" "geranal")
BETA-TOCOPHEROL β-tocopherol 5,8-dimethyltocol NIL
DELTA-TOCOPHEROL δ-tocopherol 8-methyltocol NIL
ALPHA-TOCOPHEROL α-tocopherol ("(2R,4'R,8'R)-α-tocopherol" "(R,R,R)-α-tocopherol" "5,7,8-trimethyltocol") ("vitamin E")
GAMA-TOCOPHEROL γ-tocopherol 7,8-dimethyltocol NIL
4-hydroxybenzoate 4-hydroxybenzoate ("p-hydroxybenzoate") ("4-hydroxybenzoate" "p-hydroxybenzoate")
CPD-9896 3,4-dihydroxy-5-all-trans-nonaprenylbenzoate ("3-(3,7,11,15,19,23-nonamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid" "3-nonaprenyl-4,5-dihydroxybenzoate") ("3-(3,7,11,15,19,23-nonamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid")
INDOLE-3-GLYCEROL-P (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate ("C1-(3-Indolyl)-glycerol 3-phosphate" "indole-3-glycerol-P" "1-(indol-3-yl)glycerol-3-P" "1-(indol-3-yl)glycerol-3-phosphate" "indoleglycerol phosphate" "indole-3-glycerol-phosphate") ("C'-(3-Indolyl)-glycerol 3-phosphate" "C1-(3-Indolyl)-glycerol 3-phosphate" "indole-3-glycerol-P" "1-(indol-3-yl)glycerol-3-P" "1-(indol-3-yl)glycerol-3-phosphate" "indoleglycerol phosphate")
PHENYLETHYLAMINE 2-phenylethylamine ("β-phenylethylamine" "phenylethylamine") ("Phenethylamine" "β-phenylethylamine" "phenylethylamine" "2-phenylethylamine")
CPD-9872 6-methoxy-5-methyl-2-all-trans-nonaprenyl-1,4-benzoquinol ("2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinol" "6-methoxy-5-methyl-2-nonaprenyl-1,4-benzoquinol") NIL
CPD-9870 2-methoxy-6-all trans-nonaprenyl-2-methoxy-1,4-benzoquinol ("2-nonaprenyl-6-methoxy-1,4-benzoquinol" "2-methoxy-6-nonaprenyl-2-methoxy-1,4-benzoquinol") NIL
CPD-674 trans-cinnamate ("β-phenylacrylic acid" "3-phenyl-2-propenoic acid" "cinnamic acid" "cinnamate" "trans-cinnamic acid" "(E)-cinnamate") ("trans-cinnamic acid" "β-phenylacrylic acid" "3-phenyl-2-propenoic acid" "cinnamic acid" "cinnamate" "trans-cinnamic acid" "(E)-cinnamate")
NICOTINE (S)-nicotine nicotine NIL
CPD-8653 betanidin ("betanidin radical" "2,6-Pyridinedicarboxylic acid") ("2,6-Pyridinedicarboxylic acid")
CPD-676 trans-caffeate ("trans-caffeic acid" "3,4-dihydroxy-trans-cinnamate" "(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid") ("trans-caffeic acid" "caffeic acid" "3,4-dihydroxy-trans-cinnamate" "(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid")
CPD-8098 cis-caffeate ("3,4-dihydroxy-cis-cinnamate" "cis-caffeic acid" "3,4-dihydroxy-cis-cinnamic acid" "(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid") ("cis-caffeic acid" "caffeic acid" "3,4-dihydroxycinnamic acid")
COUMARATE 4-coumarate ("4-hydroxycinnamate" "4-hydroxycinnamic acid" "p-coumarate" "trans-4-hydroxycinnamate" "p-coumaric acid" "trans-p-hydroxycinnamate" "trans-4-coumarate") ("trans-4-coumarate" "trans-4-hydroxycinnamate" "trans-p-hydroxycinnamate" "p-coumarate" "trans-4-hydroxycinnamate" "p-coumaric acid" "4-Hydroxycinnamic acid" "4-Hydroxycinnamate" "coumarate")
CPD-8097 esculetin ("6, 7-dihydroxycoumarin" "6,7-Dihydroxy-2-chromenone" "Cichorigenin") NIL
2-COUMARATE 2-coumarate ("2-hydroxycinnamate" "trans-2-hydroxycinnamate" "o-coumarate") ("o-coumarate" "trans-2-hydroxycinnamate" "2-Hydroxycinnamate" "trans-2-hydroxycinnamate" "o-coumarate")
COUMARIN coumarin ("cumarin" "1,2-Benzopyrone") ("coumarin" "cumarin" "1,2-Benzopyrone")
CPD-8186 umbelliferone ("7-oxycoumarin" "skimmetin" "hydrangin" "7-hydroxycoumarin") ("7-oxycoumarin" "skimmetin" "hydrangin")
CPD-1961 catechin ("cianidanol" "2,3-trans-catechin" "(2R,3S)-catechin") ("2,3-trans-catechin" "Cianidanol" "catechin")
APIGENIN naringenin chalcone ("2'44'6'-tetrahydroxychalcone") ("2'44'6-tetrahydroxychalcone" "2'44'6'-tetrahydroxychalcone")
NARINGENIN-CMPD naringenin ("pelargidanon" "salipurpol" "naringetol" "4,5',7-trihydroxyflavanone" "4',5,7-Trihydroxyflavanone" "flavanone naringenin" "5,7,4'-trihydroxyflavone") ("5,7,4'-trihydroxyflavone" "4,5',7-trihydroxyflavanone" "pelargidanon" "salipurpol" "naringetol" "4;,5',7-trihydroxyflavanone" "4',5,7-Trihydroxyflavanone" "flavanone naringenin")
PELARGONIDIN-3-GLUCOSIDE-CMPD pelargonidin-3-O-β-D-glucoside ("callistephin" "3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride") ("C21H21CLO5" "callistephin" "3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride")
CPD1F-766 cyanidin-3-O-β-D-glucoside ("cyanidin-3-O-glucoside" "Chrysanthemin") ("cyanidin-3-O-glucoside")
CPD-474 trans dihydroquercetin ("(+)-taxifolin" "(+)-dihydroquercetin" "taxifolin") ("dihydro quercetin" "(+)-taxifolin" "(+)-dihydroquercetin" "taxifolin")
CPD-590 leucocyanidin ("2,3-trans-3,4-cis-leucocyanidin") ("a flavan-3,4-diol" "2,3-trans-3,4-cis-leucocyanidin")
ENT-COPALYL-DIPHOSPHATE ent-copalyl diphosphate ("ent-CPP" "ent-CDP" "(-)-CPP" "(-)-CDP" "(-)-copalyl diphosphate") ("CDP" "CPP" "ent-copalyl diphosphate" "ent-CPP" "ent-CDP" "(-)-CPP" "(-)-CDP" "(-)-copalyl diphosphate")
CPD1F-128 ent-kaurene ("ent-kaur-16-ene") ("ent-kaur-16-ene" "ent-kaurene")
CPD1F-134 gibberellin A9 ("GA9" "gibberellin A9" "GA9") ("GA9" "GA9" "gibberellin A9" "gibberellin A9")
CPD1F-137 gibberellin A4 ("gibberellin A4" "GA4" "GA4") ("GA4" "GA4" "gibberellin A4" "gibberellin A4")
CPD1F-86 GA17 ("gibberellin A17" "gibberellin A17") ("GA17" "gibberellin A17" "gibberellin A17")
CPD-204 gibberellin A8 ("gibberellin A8" "GA8" "GA8" "2β-hydroxygibberellin 1") ("2β-hydroxygibberellin 1" "gibberellin A8" "gibberellin A8" "GA8")
CPD-638 GA44 ("GA44 (closed lactone form)" "gibberellin A44 (closed lactone form)" "gibberellin A44 (closed lactone form)" "GA44 (closed lactone form)" "gibberellin A44" "gibberellin A44" "GA44" "GA44 open lactone form" "GA44 free alcohol form" "gibberellin A44 free alcohol form") ("GA44" "gibberellin A44" "gibberellin A44")
CPD1F-139 gibberellin A1 ("GA1" "gibberellin A1" "GA1" "gibberellin 1") ("gibberellin 1" "GA1" "gibberellin A1" "GA1" "gibberellin A1")
CPD1F-140 gibberellin A20 ("gibberellin A20" "GA20" "GA20") ("GA20" "gibberellin 20" "GA20" "gibberellin A20" "gibberellin A20")
CPD1F-96 GA19 ("gibberellin A19" "gibberellin A19") ("GA19" "gibberellin A19" "gibberellin A19")
CPD-10332 GA44 (open lactone form) ("gibberellin A44 open lactone" "gibberellin A44 diacid" "GA44 open lactone") ("gibberellin A44 open lactone" "GA44 diacid" "gibberellin A44 diacid" "GA44 open lactone")
CPD1F-95 gibberellin A12 ("GA12" "gibberellin A12" "GA12") ("GA12" "GA12" "gibberellin A12" "gibberellin A12")
CPD-693 2-cis-abscisic acid ("abscisic acid" "ABA" "abscisate" "(+)-ABA" "(+)-S-ABA" "abscisin II" "2-cis-ABA" "(+)-abscisate") ("abscisic acid" "ABA" "abscisate" "(+)-ABA" "(+)-S-ABA" "abscisin II" "2-cis-ABA")
CPD-7725 phaseic acid ("(-)-phaseic acid" "PA" "phaseate") ("5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-7-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-penta-2,4-dienoic acid" "(-)-phaseic acid" "PA")
CPD-7234 8'-hydroxyabscisate 8'-HOABA 8´-HOABA
CPD1F-129 β-carotene NIL all-trans-beta-carotene
CPD1F-4 C25-allenic-apo-aldehyde (3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-β-caroten-12'-al NIL
CPD-7424 9'-cis-neoxanthin ("9cNeox" "9c-neoxanthin") ("9cNeox" "9c-neoxanthin" "9'-cis-neoxanthin")
CPD-4186 lathosterol ("5α-cholest-7-en-3β-ol" "α-cholest-7-en-3β-ol" "cholesta-7-enol" "Δ7-cholesten-3-β-ol" "γ-cholesterol") ("5α-Cholest-8-en-3β-ol" "lathosterol" "5α-cholest-7-en-3β-ol" "α-cholest-7-en-3β-ol" "cholesta-7-enol" "Δ7-cholesten-3-β-ol" "γ-cholesterol")
CPD-8997 (3S)-linalool ("(S)-(+)-linalool" "linalool" "(+)-linalool") NIL
CPD-8996 (3R)-linalool ("(R)-(-)-linalool" "(-)-linalool") NIL
CPD-4886 (-)-(4S)-limonene ("(-)-limonene" "(-)-(S)-limonene" "L-limonene") ("L-limonene" "(-)-limonene" "(-)-(4S)-limonene" "(-)-(S)-limonene")
ASCORBATE L-ascorbate ("vitamin C" "L-ascorbic acid") ("L-ascorbic acid" "L-ascorbate (vitamin C)" "ascorbate" "vitamin C" "ascorbic acid")
THIAMINE thiamin ("thiamine" "vitamin B1") ("thiamin" "thiamine" "vitamin B1")
NIACINE nicotinate ("3-pyridinecarboxylic acid" "nicotinic acid" "wampocap" "nicolar" "nicocap" "nicobid" "nico-400-" "nicamin" "niacin" "niacine" "vitamin B3" "3-pyridinecarboxylate") ("3-pyridinecarboxylic acid" "nicotinic acid" "wampocap" "nicolar" "nicocap" "nicobid" "nico-400-" "nicamin" "niacin" "niacine" "vitamin B3")
RIBOFLAVIN riboflavin vitamin B2 vitamin B2
DIHYDROFOLATE 7,8-dihydrofolate monoglutamate ("H2PteGlu" "H2PteGlu1" "7,8-dihydropteroyl monoglutamate") ("H2PteGlu" "FH2" "H2PteGlu1" "dihydrofolate" "DHF" "7,8-dihydropteroylglutamate")
5-METHYL-THF 5-methyl-tetrahydrofolate ("N5-methyltetrahydropteroyl mono-L-glutamate" "5-methyl-THF" "5-methyl-5,6,7,8-tetrahydrofolate" "n5-methyltetrahydrofolate" "N5-methyl-THF" "methyl-THF" "methyl-tetrahydrofolate" "methyl-H4F" "5-methyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid") ("n5-CH3-THF" "CH3-THF" "N5-methyltetrahydropteroyl mono-L-glutamate" "5-methyl-tetrahydrofolate" "5-methyl-5,6,7,8-tetrahydrofolate" "n5-methyltetrahydrofolate" "N5-methyl-THF" "methyl-THF" "methyl-tetrahydrofolate" "methyl-H4F")
10-FORMYL-THF 10-formyl-tetrahydrofolate ("N10-formyl-tetrahydrofolate" "N10-formyl-THF" "N10-formyl-H4F" "10-formyl-THF" "10-formyl-H4PteGlu1") ("N10-formyl-THF" "N10-formyl-tetrahydrofolate" "10-formyl-tetrahydrofolate" "n10-formyltetrahydrofolate" "N10-formyl-H4F" "10-formyl-THF" "10-formyl-H4PteGlu1")
5-FORMYL-THF 5-formyl-tetrahydrofolate ("5-formyl-THF leucovorin" "n5-formyltetrahydrofolate" "n5-formyl-thf" "N5-formyl-THF" "5-formyl-H4F" "5-formyl-THF" "folinic acid" "5-CHO-THF" "folinate" "formyl-H4F" "citrovorum factor" "N5-formyl-H4F") ("N5-formyl-THF" "5-formyl-THF leucovorin" "n5-formyltetrahydrofolate" "n5-formyl-thf" "5-formyltetrahydrofolate" "5-formyl-H4F" "5-formyl-THF" "folinic acid" "5-CHO-THF" "folinate" "formyl-H4F" "citrovorum factor" "N5-formyl-H4F")
METHYLENE-THF 5,10-methylenetetrahydropteroyl mono-L-glutamate ("5,10-methylene-THF" "N5,N10-methylenetetrahydrofolate" "5,10-methylenetetrahydrofolate") ("5,10-methylenetetrahydrofolate" "N5,N10-methylenetetrahydrofolate")
PYRIDOXINE-5P pyridoxine-5'-phosphate ("pyridoxol-5'-phosphate" "pyridoxine-5-phosphate" "pyridoxine-phosphate" "pyridoxine-5P" "pyridoxine-P") ("pyridoxine-phosphate" "pyridoxine-5P" "pyridoxine-P")
CPD-318 monodehydroascorbate ("monodehydroascorbic acid" "semidehydroascorbic acid" "semidehydroascorbate") NIL
CH33ADO 5'-deoxyadenosine ("CH3Ado") ("5'-deoxyadenosine" "CH3Ado")
DI-H-URACIL 5,6-dihydrouracil ("dihydrouracil" "DI-H-uracil") ("dihydrouracil" "5,6-dihydrouracil" "DI-H-uracil" "4,5-dihydrouracil")
PHOSPHORIBOSYL-AMP 1-(5-phospho-D-ribosyl)-AMP ("1-(5-phosphoribosyl)-AMP" "phosphoribosyl-AMP" "5-phosphoribosyl-AMP" "N-(5-phospho-D-ribosyl)-AMP" "N-(5'-phospho-D-ribosyl)-AMP" "N1-(5-phospho-D-ribosyl)-AMP") ("1-(5-Phosphoribosyl)-AMP" "N1-(5-phospho-D-ribosyl)-AMP" "5-phosphoribosyl-AMP" "N-(5-phospho-D-ribosyl)-AMP" "N-(5'-phospho-D-ribosyl)-AMP")
ADENYLOSUCC adenylo-succinate ("N6-(1,2-dicarboxyethyl)-AMP" "adenylo-succ") ("N6-(1,2-dicarboxyethyl)-AMP" "N6-(1,2-dicarboxyethyl)-AMP" "adenylo-succ")
CPD-663 UDP-4-dehydro-6-deoxy-D-glucose ("UDP-4-keto-6-deoxyglucose" "UDP-4-keto-6-deoxy-D-glucose" "UDP-4-oxo-6-deoxy-D-glucose") ("UDP-4-keto-6-deoxy-D-glucose" "UDP-4-oxo-6-deoxy-D-glucose")
DTDP-D-GLUCOSE dTDP-α-D-glucose ("TDP-glucose" "dTDP-glucose" "dTDP-D-glucose") ("dTDP-glucose")
ADP-D-GLUCOSE ADP-α-D-glucose ("adenosine diphosphate glucose" "ADP-glucose" "ADP-D-glucose") ("adenosine diphosphate glucose" "ADP-glucose")
OH-MYRISTOYL UDP-2,3-bis[O-(3R)-3-hydroxymyristoyl]-α-D-glucosamine ("UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine" "UDP-2,3-diacyl-glucosamine" "UDP-2,3-bis(3-hydroxymyristoyl)glucosamine" "UDP-2,3-bis[(3R)-3-hydroxymyristoyl]-α-D-glucosamine") ("UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine" "UDP-2,3-diacyl-glucosamine")
UDP-SULFOQUINOVOSE UDP-α-D-sulfoquinovopyranose ("UDP-6-sulfoquinovose" "UDP-sulfoquinovose" "UDP-α-D-sulfoquinovose") ("UDP-6-sulfoquinovose")
UDP-OHMYR-ACETYLGLUCOSAMINE UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine ("UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine" "UDP-3-O-(3-hydroxymyristoyl)-N-acetylglucosamine") ("UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine")
UDP-GALACTOSE UDP-D-galactose ("UDP-galactose" "UDP-D-galactopyranose" "uridine diphosphate galactose") ("UDP-galactose" "UDP-D-galactopyranose" "UDP-D-galactose" "uridine diphosphate galactose")
UDP-D-XYLOSE UDP-α-D-xylose NIL ("udp-xylose" "UDP-α-D-xylose")
DTDP-RHAMNOSE dTDP-α-L-rhamnose ("TDP-rhamnose" "dTDP-6-deoxy-L-mannose" "dTDP-L-rhamnose" "dTDP-rhamnose") ("dTDP-6-deoxy-L-mannose" "dTDP-L-rhamnose" "dTDP-rhamnose")
DCMP dCMP ("2'-deoxycytidine 5'-monophosphate" "deoxycytidylate" "deoxycytidylic acid" "deoxycytidine monophosphate" "2'-deoxycytidine-5'-phosphate" "deoxycytidine-phosphate") ("2'-deoxycytidine 5'-monophosphate" "dCMP" "deoxycytidylate" "deoxycytidylic acid" "deoxycytidine monophosphate" "2'-deoxycytidine-5'-phosphate" "deoxycytidine-phosphate")
UMP uridine-5'-phosphate ("uridylate" "5'-UMP" "U" "uridine-5'-monophosphate" "5'-uridylic acid (8CI)(9CI)" "uridine-monophosphate" "UMP" "uridine-phosphate") ("UMP" "uridylate" "5'-UMP" "U" "uridine-5'-monophosphate" "5'-uridylic acid (8CI)(9CI)" "uridine-monophosphate" "uridine-5'-phosphate" "uridine-phosphate")
DEOXYURIDINE deoxyuridine ("2'-deoxyuridine") ("2-Deoxyuridine" "2'-deoxyuridine")
UDP UDP ("uridine-diphosphate" "uridine-5'-diphosphate") ("UDP" "uridine-diphosphate" "uridine-5'-diphosphate")
GMP GMP ("guanylate" "G" "guanylic acid" "guanosine-phosphate" "guanosine-5'-phosphate" "guanosine-monophosphate" "guanosine monophosphate" "guanosine-5'-monophosphate") ("GMP" "guanylate" "G" "guanylic acid" "guanosine-phosphate" "guanosine-5'-phosphate" "guanosine-monophosphate" "guanosine monophosphate" "guanosine-5'-monophosphate")
GDP GDP ("ppG" "guanosine-5'-diphosphate" "guanosine-diphosphate") ("GDP" "ppG" "guanosine-5'-diphosphate" "guanosine-diphosphate")
IMP inosine-5'-phosphate ("5'-IMP" "ribosylhypoxanthine monophosphate" "IMP" "inosinate" "inosine monophosphate" "inosine 5'-monophosphate" "inosine 5'-phosphate" "5'-inosinate" "5'-inosinic acid" "5'-inosine monophosphate") ("inosine-5'-phosphate" "5'-IMP" "ribosylhypoxanthine monophosphate" "IMP" "inosinate" "inosine monophosphate" "inosine 5'-monophosphate" "inosine 5'-phosphate" "5'-inosinate" "5'-inosinic acid" "5'-inosine monophosphate")
ADENINE adenine ("6-aminopurine") ("2-aminopurine" "6-aminopurine")
PRPP 5-phospho-α-D-ribose 1-diphosphate ("PRPP" "5-phosphoribosyl 1-pyrophosphate" "5-phosphoribosyl diphosphate" "5-phosphoribosyl-1-PP" "5-phosphoribosyl-PP" "5-phosphoribosyl-1-pyrophosphate" "5-phosphoribosylpyrophosphate" "phosphoribosylpyrophosphate" "5-phospho-ribosyl-pyrophosphate" "α-D-5-phosphoribosylPP" "α-D-5-P-RibosylPP" "5-phospho-α-D-ribose-1-diphosphate") ("5-phosphoribosyl 1-pyrophosphate" "5-phosphoribosyl diphosphate" "5-phospho-α-D-ribose 1-diphosphate" "PRPP" "5-phosphoribosyl-1-PP" "5-phosphoribosyl-PP" "5-phosphoribosyl-1-pyrophosphate" "5-phosphoribosylpyrophosphate" "phosphoribosylpyrophosphate" "5-phospho-ribosyl-pyrophosphate" "α-D-5-phosphoribosylPP" "α-D-5-P-RibosylPP" "5-phospho-α-D-ribose-1-diphosphate")
RIBOSE-1P α-D-ribose-1-phosphate ("D-ribose-1-phosphate" "α-D-ribose-1P" "α-D-ribofuranose 1-phosphate" "ribose-1-phosphate") ("ribose-1-phosphate" "D-ribose-1-phosphate" "α-D-ribose-1P" "α-D-ribofuranose 1-phosphate" "α-D-ribose-1-phosphate")
MANNOSE-1P α-D-mannose 1-phosphate ("mannose-1-phosphate" "D-mannose-1-phosphate" "mannose-1-P") ("D-mannose-1-phosphate" "mannose-1-phosphate" "α-D-mannose 1-phosphate" "mannose-1-P")
GALACTOSE-1P α-D-galactose 1-phosphate ("α-D-Gal-1-P" "α-D-galactopyranose 1-phosphate" "galactose-1-P" "D-galactose-1-phosphate") ("α-D-galactopyranose 1-phosphate" "α-D-Gal-1-P" "galactose-1P" "galactose-1-P" "D-galactose-1-phosphate" "galactose-1-phosphate")
N-ACETYL-D-GLUCOSAMINE-1-P N-acetyl-α-D-glucosamine 1-phosphate NIL ("N-acetyl-D-glucosamine 1-phosphate" "N-acetyl-α-D-glucosamine 1-phosphate")
RIBOSE-5P D-ribose-5-phosphate ("D-ribose-5-phosphoric acid" "ribose-5-phosphoric acid" "ribose-5P" "D-ribose-5-P" "ribose-5-P" "ribose-5-phosphate" "α-D-ribose-5-phosphate" "D-ribose 5'-phosphate") ("D-ribose 5'-phosphate" "D-ribose-5-phosphate" "D-ribose-5-phosphoric acid" "ribose-5-phosphoric acid" "ribose-5P" "D-ribose-5-P" "ribose-5-P" "ribose-5-phosphate" "α-D-ribose-5-phosphate")
FRU1P fructose-1-phosphate ("fructose-1-P" "D-fructose-1-phosphate" "β-D-fructose-1-P" "β-D-fructose-1-phosphate") ("fructose-1-P" "fructose-1-phosphate" "D-fructose-1-phosphate" "β-D-fructose-1-P" "β-D-fructose-1-phosphate")
MANNOSE-6P D-mannose 6-phosphate ("mannose-6-phosphate" "α-D-mannose-6-phosphate" "α-D-mannose-6-P") ("D-mannose-6-phosphate" "mannose-6-phosphate" "α-D-mannose-6-phosphate" "α-D-mannose-6-P")
FRUCTOSE-16-DIPHOSPHATE fructose-1,6-bisphosphate ("fructose-1,6-biphosphate" "fructose-1,6-diphosphate" "β-D-fructose-1,6-diphosphate" "D-fructose-1,6-diphosphate" "D-fructose-1,6-bisphosphate" "fructose 1,6-bisphosphate" "FBP") ("β-D-fructose-1,6-diphosphate" "fructose-1,6-biphosphate" "fructose-1,6-diphosphate" "α-D-fructose-1,6-diphosphate" "D-fructose-1,6-diphosphate" "D-fructose-1,6-bisphosphate" "fructose 1,6-bisphosphate" "FBP")
TREHALOSE-6P trehalose 6-phosphate ("α,α-trehalose 6-phosphate" "trehalose phosphate") ("α,α-trehalose 6-phosphate")
CPD-4620 cis-zeatin-O-glucoside O-β-D-glucosyl-cis-zeatin NIL
GALACTOSE β-D-galactose ("galactose" "galactopyranoside" "galactopyranose" "D-galactose" "cerebrose" "6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol") ("β-D-galactopyranose" "galactose" "galactopyranoside" "galactopyranose" "D-galactose" "cerebrose" "6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol")
GLYCERALD D-glyceraldehyde ("glyceraldehyde" "α,β-dihydroxypropionaldehyde" "D-(+)-glyceraldehyde" "D-2,3-dihydroxypropanal" "D-2,3-dihydroxypropionaldehyde" "D-aldotriose" "D-glycerose") ("D-glycerose" "D-aldotriose" "D-2,3-dihydroxypropionaldehyde" "D-2,3-dihydroxypropanal" "D-(+)-glyceraldehyde" "glyceraldehyde" "D-glyceraldehyde" "α,β-dihydroxypropionaldehyde")
D-XYLULOSE D-xylulose ("xylulose" "D-threo-pentulose") ("xylulose" "D-xylulose" "D-threo-pentulose")
XYLOSE α-D-xylose ("xylose" "D-xylose" "wood sugar") ("xylose" "α-D-xylose" "wood sugar")
MELIBIOSE melibiose ("6-O-(α-D-galactopyranosyl)-D-glucopyranose" "D-Gal-α(1->6)-D-glucose" "D-melibiose" "6-O-α-D-Galactopyranosyl-D-glucose" "6-(α-D-galactosido)-D-glucose" "α-D-Galp-(1->6)-D-Glc") ("6-O-(α-D-galactopyranosyl)-D-glucopyranose" "D-Gal-α(1->6)-D-glucose" "D-melibiose" "melibiose" "6-O-α-D-Galactopyranosyl-D-glucose" "6-(α-D-galactosido)-D-glucose" "α-D-Galp-(1->6)-D-Glc")
SUCROSE sucrose ("sugar" "saccharose" "Glc(α1->2β)Fru" "α-D-glucopyranosyl β-D-fructofuranoside") ("Glc(α1->2β)Fru" "sugar" "saccharose" "Glc(α1<->2β)Fru" "α-D-glucopyranosyl β-D-fructofuranoside")
CPD-170 stachyose ("(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol" "α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf") ("α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf" "(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol" "α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1<->2)-β-D-Fruf")
CPD-1099 raffinose ("melitose" "melitriose" "gossypose" "6G-α-D-galactosylsucrose" "(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol" "α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf" "α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside") ("α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside" "α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf" "melitose" "melitriose" "gossypose" "6G-α-D-galactosylsucrose" "(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol" "α-D-Galp-(1->6)-α-D-Glcp-(1<->2)-β-D-Fruf" "α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1<->2)-β-D-fructofuranoside")
MANNITOL D-mannitol ("mannitol" "mitobronitol") ("D-mannitol" "mannitol" "mitobronitol")
6-KESTOSE 6-kestotriose ("6-kestose" "2,6-β-D-Fructan") ("6-kestose")
CPD-12586 (2E,6E)-farnesyl methyl ester ("methyl (2E,6E)-farnesoate" "methyl (2-trans-6-trans)-farnesoate" "methyl (trans,trans)-farnesoate" "(trans,trans)-2,6,10-dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester" "Methyl (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienoate" "(2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienoic acid methyl ester" "2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (2E,6E)-" "2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,E)-") ("methyl (2-trans-6-trans)-farnesoate" "(2E,6E)-farnesyl methyl ester" "methyl (2E,6E)-farnesoate" "methyl (trans,trans)-farnesoate" "(trans,trans)-2,6,10-dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester" "Methyl (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienoate" "(2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienoic acid methyl ester" "2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (2E,6E)-" "2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,E)-")
GLC-D-LACTONE D-glucono-1,5-lactone ("D-aldonolactone" "3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one" "gluconolactone" "glucono-1,5-lactone" "1,5-gluconolactone" "D-gluconolactone" "glucono-δ-lactone" "δ-gluconolactone" "D-glucono-δ-lactone" "gluconic lactone" "gluconic acid lactone") ("gluconolactone" "glucono-1,5-lactone" "1,5-gluconolactone" "D-gluconolactone" "D-glucono-1,5-lactone" "δ-gluconolactone" "D-glucono-δ-lactone" "gluconic lactone" "gluconic acid lactone")
CPD-504 1-monoacylglycerol ("monoglyceride" "1-acylglycerol") ("Monoacylglycerol" "Glyceride" "monoglyceride" "1-acylglycerol")
CPD-409 2-monoacylglycerol ("2-glyceride" "2-acylglycerol") ("2-Monoacylglycerol" "2-glyceride" "2-acylglycerol")
CPD-8083 1-18:2-2-18:3-digalactosyldiacylglycerol ("1-(9Z,12Z-octadecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-[alpha-D-galactosyl-(1->6)-O-beta-D-galactosyl]-sn-glycerol" "18:2-18:3-DGDG" "1-18:2-2-18:3-digalactosyldiacylglycerol" "1-(9Z,12Z-octadecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-[alpha-D-galactosyl-(1>6)-O-beta-D-galactosyl]-sn-glycerol") ("18:2-18:3-DGDG" "1-18:2-2-18:3-digalactosyldiacylglycerol" "1-(9Z,12Z-octadecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-[alpha-D-galactosyl-(1>6)-O-beta-D-galactosyl]-sn-glycerol")
CPD-8081 1-18:3-2-18:3-digalactosyldiacylglycerol ("1,2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-[α-D-galactosyl-(1->6)-O-β-D-galactosyl]-sn-glycerol" "18:3-18:3-DGDG" "1-18:3-2-18:3-digalactosyldiacylglycerol" "1,2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-[alpha-D-galactosyl-(1>6)-O-beta-D-galactosyl]-sn-glycerol") ("18:3-18:3-DGDG" "1-18:3-2-18:3-digalactosyldiacylglycerol" "1,2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-[alpha-D-galactosyl-(1>6)-O-beta-D-galactosyl]-sn-glycerol")
CPD-8163 1-16:0-2-18:2-digalactosyldiacylglycerol ("1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-3-O-[alpha-D-galactosyl-(1->6)-O-beta-D-galactosyl]-sn-glycerol" "16:0-18:2-DGDG" "1-16:0-2-18:2-digalactosyldiacylglycerol" "1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-3-O-[alpha-D-galactosyl-(1>6)-O-beta-D-galactosyl]-sn-glycerol") ("16:0-18:2-DGDG" "1-16:0-2-18:2-digalactosyldiacylglycerol" "1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-3-O-[alpha-D-galactosyl-(1>6)-O-beta-D-galactosyl]-sn-glycerol")
CPD-8164 1-16:0-2-18:3-digalactosyldiacylglycerol ("1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-[alpha-D-galactosyl-(1->6)-O-beta-D-galactosyl]-sn-glycerol" "16:0-18:3-DGDG" "1-16:0-2-18:3-digalactosyldiacylglycerol" "1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-[alpha-D-galactosyl-(1>6)-O-beta-D-galactosyl]-sn-glycerol") ("16:0-18:3-DGDG" "1-16:0-2-18:3-digalactosyldiacylglycerol" "1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-[alpha-D-galactosyl-(1>6)-O-beta-D-galactosyl]-sn-glycerol")
CPD-8082 1-18:2-2-18:2-digalactosyldiacylglycerol ("1,2-(9Z,12Z-octadecadienoyl)-3-O-[alpha-D-galactosyl-(1->6)-O-beta-D-galactosyl]-sn-glycerol" "18:2-18:2-DGDG" "1-18:2-2-18:2-digalactosyldiacylglycerol" "1,2-(9Z,12Z-octadecadienoyl)-3-O-[alpha-D-galactosyl-(1>6)-O-beta-D-galactosyl]-sn-glycerol") ("18:2-18:2-DGDG" "1-18:2-2-18:2-digalactosyldiacylglycerol" "1,2-(9Z,12Z-octadecadienoyl)-3-O-[alpha-D-galactosyl-(1>6)-O-beta-D-galactosyl]-sn-glycerol")
TRANS-3-METHYL-GLUTACONYL-COA 3-methylglutaconyl-CoA ("trans-3-methylglutaconyl-CoA" "(E)-3-methylglutaconyl-1-CoA") ("3-Methylglutaconyl-CoA" "trans-3-methylglutaconyl-CoA")
3-HYDROXY-PROPIONYL-COA 3-hydroxypropanoyl-CoA ("3-hydroxypropionyl-coenzyme A" "3-hydroxypropionyl-CoA" "3-hydroxypropanoyl coenzymeA") ("3-hydroxypropionyl-coenzyme A" "3-Hydroxypropanoyl-CoA" "3-Hydroxypropanoyl coenzymeA")
ACRYLYL-COA acrylyl-CoA ("acryloyl-CoA" "acryloyl-coenzyme A") ("acryloyl-CoA" "acryloyl-coenzyme A" "acrylyl-CoA")
CPD-1083 2-methyl-crotonyl-CoA ("methylcrotonyl-CoA" "trans-2-methylbut-2-enoyl-CoA" "2-methylbut-2-enoyl-CoA" "tigloyl-CoA" "tiglyl-CoA" "(E)-2-methylcrotonoyl-CoA") ("2-Methylbut-2-enoyl-CoA" "trans-2-Methylbut-2-enoyl-CoA" "(E)-2-Methylcrotonoyl-CoA" "methylcrotonoyl-CoA" "2-methylcrotonoyl-CoA")
2-METHYL-BUTYRYL-COA 2-methylbutanoyl-CoA ("2-methylbutyryl-CoA" "α-methylbutyryl-CoA" "α-methylbutanoyl-CoA" "S-2-methyl-butyryl-CoA") ("2-methylbutyryl-CoA" "α-methylbutyryl-CoA" "α-methylbutanoyl-CoA" "2-methylbutanoyl-CoA")
PROPIONYL-COA propanoyl-CoA ("n-propionyl-CoA" "propionyl-CoA" "propionyl-coenzyme A") ("propionyl-CoA" "n-propionyl-CoA" "propanoyl-CoA" "propionyl-coenzyme A")
3-HYDROXY-3-METHYL-GLUTARYL-COA (S)-3-hydroxy-3-methylglutaryl-CoA ("3-hydroxy-3-methyl-glutaryl-CoA" "HMG-CoA" "hydroxymethylglutaryl-CoA" "3-hydroxy-3-methylglutaryl-coenzyme A" "3-Hydroxy-3-methylglutaryl-CoA") ("(S)-3-hydroxy-3-methylglutaryl-CoA" "HMG-CoA" "hydroxymethylglutaryl-CoA" "3-hydroxy-3-methylglutaryl-coenzyme A" "3-Hydroxy-3-methylglutaryl-CoA")
S-3-HYDROXYBUTANOYL-COA (S)-3-hydroxybutanoyl-CoA ("(S)-3-hydroxybutanoyl-CoA" "L-3-hydroxybutyryl-CoA") ("(S)-3-hydroxybutanoyl-CoA")
CPD-650 (R)-3-hydroxybutanoyl-CoA ("3-OH-butyryl-CoA" "OH-butyryl-CoA" "β-hydroxybutyryl-S-CoA" "D-3-hydroxybutyryl-CoA" "hydroxy-butyryl-CoA" "β-hydroxybutyryl-CoA" "3-hydroxybutyryl-CoA" "(3R)-3-Hydroxybutanoyl-CoA" "3-hydroxybutanoyl-CoA") ("3-OH-butyryl-CoA" "OH-butyryl-CoA" "β-hydroxybutyryl-S-CoA" "D-3-hydroxybutyryl-CoA" "hydroxy-butyryl-CoA" "β-hydroxybutyryl-CoA" "(R)-3-Hydroxybutanoyl-CoA" "(3R)-3-Hydroxybutanoyl-CoA" "3-hydroxybutanoyl-CoA")
PALMITYL-COA palmitoyl-CoA ("Palmitoyl-CoA (n-C16:0CoA)" "hexadecanoyl CoA" "palmityl-CoA" "palmitoyl coenzyme A" "palmitoyl CoA") ("palmitoyl CoA" "Palmitoyl-CoA (n-C16:0CoA)" "hexadecanoyl CoA" "palmityl-CoA" "palmitoyl coenzyme A" "palmitoyl-CoA")
BUTYRYL-COA butanoyl-CoA ("butyryl-CoA" "butyryl-coenzyme A") ("butanoyl-CoA" "butyryl-coenzyme A")
CROTONYL-COA crotonyl-CoA ("crotonyl-S-CoA" "crotonyl-coenzyme A" "crotonoyl-CoA" "2-butenoyl-CoA" "trans-but-2-enoyl-CoA" "but-2-enoyl-CoA" "trans-butyr-2-enoyl-CoA" "(E)-but-2-enoyl-CoA") ("crotonyl-S-CoA" "crotonyl-coenzyme A" "crotonoyl-CoA" "2-butenoyl-CoA" "trans-but-2-enoyl-CoA" "but-2-enoyl-CoA" "trans-butyr-2-enoyl-CoA")
ACETOACETYL-COA acetoacetyl-CoA ("3-acetoacetyl-CoA" "acetoacetyl-S-CoA") ("acetoacetyl-S-CoA")
CPD-4101 24-methylenelophenol ("4α-methyl-5α-ergosta-7,24-dien-3β-ol") ("cpd-4101" "cdp-4101" "4α-methyl-5α-ergosta-7,24-dien-3β-ol")
CPD-696 24-methylenecycloartanol ("24(28)-methylenecycloartanol") ("24(28)-methylenecycloartanol" "24(28)-methylenecycloartenol")
5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL 5α-cholesta-7,24-dien-3β-ol NIL ("5α-cholesta-7,24-dien-3β-ol" "5α-cholesta-7,24-dien-3-β-ol" "(24R)-cholest-5-ene 3-β,7-α,24-triol")
4-METHYL-824-CHOLESTADIENOL 4α-methyl-zymosterol ("4-methyl-8,24-cholestadienol" "4α-methyl-5α-cholesta-8,24-dien-3β-ol") ("4α-methyl-5α-cholesta-8,24-dien-3β-ol" "4-methyl-8,24-cholestadienol" "4-α-methyl-5α-cholesta-8,24-dien-3β-ol")
CPD-3946 (22S,24R)-22-hydroxy-5α-ergostan-3-one ("(22S)-22-hydroxy-5α-campestan-3-one" "(22α)-hydroxy-5α-campestan-3-one") ("(22α)-hydroxy-5α-campestan-3-one" "(22S)-22-hydroxy-5α-campestan-3-one" "(22S,24R)-22-hydroxy-5α-ergostan-3-one")
ACETYL-GLU N-acetyl-L-glutamate ("N-acetyl-L-glutamic acid" "acetyl-L-glu" "acetyl-L-glutamate" "NAG") ("N-acetylglutamic acid" "acetyl-glu" "N-acetyl-glutamate" "acetyl-glutamate" "N-acetyl L-glutamic acid" "NAG")
5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE 5-phosphoribosyl-N-formylglycineamidine ("2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine" "5'-phosphoribosyl-N-formyl glycineamidine" "FGAM" "5'-phosphoribosylformylglycinamidine") ("2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine" "5'-phosphoribosyl-N-formyl glycineamidine" "FGAM" "5-phosphoribosyl-N-formylglycineamidine" "5'-phosphoribosylformylglycinamidine")
5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE 5'-phosphoribosyl-N-formylglycineamide ("N2-formyl-N1-(5-phospho-D-ribosyl)glycinamide" "5'-P-ribosyl-N-formylglycineamide" "5'-phosphoribosyl-N-formylglycinamide" "FGAR" "5-phosphoribosyl-N-formalglycineamide" "5'-phosphoribosyl-formylglycinamide") ("N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide" "5'-P-ribosyl-N-formylglycineamide" "5'-phosphoribosyl-N-formylglycinamide" "5'-phosphoribosyl-N-formylglycineamide" "FGAR" "5-phosphoribosyl-N-formalglycineamide" "5'-phosphoribosyl-formylglycinamide")
BENZYL-DESULFOGLUCOSINOLATE benzyl-desulfoglucosinolate desulfoglucotropeolin NIL
INDOLE-3-ACETALDOXIME (E)-indol-3-ylacetaldoxime ("(E)-3-indoleacetaldoxime" "(E)-indole-3-acetaldehyde oxime" "(E)-indole-3-acetaldoxime") ("(E)-indole-3-acetaldoxime" "(E)-indole-3-acetaldehyde oxime" "(E)-3-indoleacetaldoxime" "3-indoleacetaldoxime" "indole-3-acetaldehyde oxime")
TRP L-tryptophan ("trp" "W" "tryptacin" "trofan" "tryptophan" "2-amino-3-indolylpropanic acid") ("trp" "W" "tryptacin" "trofan" "tryptophan" "2-amino-3-indolylpropanic acid" "a1" "a2")
ASN L-asparagine ("asparagine" "α-aminosuccinamic acid" "(-)-asparagine" "(S)-2,4-diamino-4-oxobutanoic acid" "(S)-asparagine" "2,4-diamino-4-oxobutanoic acid, (S)-" "2-aminosuccinamic acid, L-" "agedoite" "altheine" "asparagine acid" "aspartic acid β-amide" "butanoic acid, 2,4-diamino-4-oxo-, (S)-" "L-2,4-diamino-4-oxobutanoic acid" "L-asparatamine" "L-β-asparagine" "asn") ("asparagine" "α-aminosuccinamic acid" "(-)-asparagine" "(S)-2,4-diamino-4-oxobutanoic acid" "(S)-asparagine" "2,4-diamino-4-oxobutanoic acid, (S)-" "2-aminosuccinamic acid, L-" "agedoite" "altheine" "asparagine acid" "aspartic acid β-amide" "butanoic acid, 2,4-diamino-4-oxo-, (S)-" "L-2,4-diamino-4-oxobutanoic acid" "L-asparatamine" "L-β-asparagine")
HIS L-histidine ("glyoxaline-5-alanine" "α-amino-4-imidazoleproprionic acid" "(S)-α-amino-1H-imidazole-4-propanoic acid" "H" "histidine" "his") ("L-histidine" "glyoxaline-5-alanine" "α-amino-4-imidazoleproprionic acid" "(S)-α-amino-1H-imidazole-4-propanoic acid" "H" "histidine" "his")
B-ALANINE β-alanine ("3-aminopropanoate") ("β-alanine" "3-aminopropanoate")
HOMO-SER L-homoserine ("homo-ser" "homoserine" "2-amino-4-hydroxybutanoic acid" "2-amino-4-hydroxybutanoate") ("homo-ser" "L-homoserine")
CPD-68 1-aminocyclopropane-1-carboxylate ("1-aminocyclopropane-1-carboxylic acid" "ACC" "1-aminocyclopropanecarboxylic acid" "1-aminocyclopropanecarboxylate") ("1-aminocyclopropanecarboxylate" "1-aminocyclopropanecarboxylic acid" "ACC" "1-Aminocyclopropane-1-carboxylic acid")
HOMO-CYS L-homocysteine ("homo-cys" "homocysteine") ("L-Homocysteine" "homo-cys" "homocysteine")
3-P-SERINE 3-phospho-L-serine ("O-phospho-L-serine" "serine phosphate" "phosphorylserine" "seryl phosphate" "3-P-serine" "serine-3-p" "serine-3-phosphate" "phosphoserine" "P-serine" "3-phospho-serine" "P-ser" "3-phosphoserine") ("3-phospho-serine" "O-phospho-L-serine" "serine phosphate" "phosphorylserine" "seryl phosphate" "3-P-serine" "serine-3-p" "serine-3-phosphate" "phosphoserine" "P-serine" "3-phospho-1-serine" "P-ser" "3-phosphoserine")
DEHYDROSPHINGANINE 3-dehydrosphinganine ("3-dehydro-D-sphinganine" "KDHS") ("3-dehydro-D-sphinganine" "3-dehydrosphinganine" "KDHS")
DIHYDRO-SPHINGOSINE sphinganine ("dihydrosphingosine" "erythro-D-sphinganine" "DHS") ("dihydrosphingosine" "sphinganine" "erythro-D-sphinganine" "DHS")
PHYTOSPINGOSINE 4-hydroxysphinganine ("phytosphingosine") ("phytosphingosine" "PHS")
NONAPRENYL-4-HYDROXYBENZOATE nonaprenyl-4-hydroxybenzoate ("nonaprenyl-4-hydroxybenzoic acid" "3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl ester") ("4-hydroxybenzoic acid" "3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl ester")
UNDECAPRENYL-DIPHOSPHATE di-trans,octa-cis-undecaprenyl diphosphate ("di-trans-poly-cis-undecaprenyl diphosphate" "undecaprenyl-PP (ambiguous)" "bactoprenyl pyrophosphate" "undecaprenyl pyrophosphate (ambiguous)" "UPP (ambiguous)") ("di-trans-poly-cis-undecaprenyl diphosphate" "undecaprenyl-PP" "bactoprenyl pyrophosphate" "undecaprenyl pyrophosphate" "UPP" "di-trans,poly-cis-undecaprenyl diphosphate")
OCTAPRENYL-DIPHOSPHATE all-trans-octaprenyl diphosphate ("farnesylfarnesylgeranyl-PP" "octaprenyl pyrophosphate" "OPP" "farnesylfarnesylgeraniol" "octaprenyl diphosphate") ("all-trans-octaprenyl diphosphate" "farnesylfarnesylgeranyl-PP" "octaprenyl pyrophosphate" "OPP" "farnesylfarnesylgeraniol" "octaprenyl diphosphate")
SOLANESYL-PYROPHOSPHATE all-trans-nonaprenyl diphosphate ("all-trans-nonaprenyl diphosphate" "solanyl pyrophosphate" "solanesyl diphosphate" "(hydroxy-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenoxy)phosphinoyl)oxyphosphonic acid" "solanesyl pyrophosphate") ("solanyl pyrophosphate" "all-trans-nonaprenyl diphosphate" "nonaprenyl diphosphate" "all-trans-nonaprenyl diphosphate" "solanesyl diphosphate" "(hydroxy-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenoxy)phosphinoyl)oxyphosphonic acid" "solanesyl pyrophosphate")
GERANYLGERANYL-PP all-trans-geranyl-geranyl diphosphate ("all-trans-geranyl-geranyl-pp" "geranylgeranyl-PP" "GGPP" "geranylgeranyl diphosphate" "(2E,6E,10E)-geranylgeranyl diphosphate" "ω,E,E,E-geranylgeranyl diphosphate") ("ω,E,E,E-geranylgeranyl diphosphate" "(2E,6E,10E)-geranylgeranyl diphosphate" "all-trans-geranyl-geranyl-pp" "geranylgeranyl-diphosphate" "all-trans-geranyl-geranyl-pp" "geranylgeranyl diphosphate" "geranylgeranyl-PP" "GGPP")
ALL-TRANS-PENTAPRENYL-DIPHOSPHATE geranylfarnesyl diphosphate ("all-trans-pentaprenyl diphosphate" "geranylfarnesyl-PP" "GFPP" "geranylfarnesyl-diphosphate" "all-trans-pentaprenyl diphosphate" "2,6,10,14-trans-pentaprenyl diphosphate" "(2E,6E,10E,14E)-geranylfarnesyl diphosphate") ("all-trans-pentaprenyl diphosphate" "geranylfarnesyl-PP" "GFPP" "geranylfarnesyl-diphosphate" "all-trans-pentaprenyl diphosphate")
CPD-440 N-feruloyltyramine ("feruloyltyramine") ("feruloyltyramine" "N-feruloyltyramine")
PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE phosphoribosyl-formamido-carboxamide ("5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide" "5'-p-ribosyl-5-formamido-4-imidazolecarboxamide" "5'-phosphoribosyl-5-formamido-4-imidazole carboxamide" "5'-p-ribosyl-5-formamido-4-imidazole carboxamide" "5-phosphoribosyl-5-formamido-4-imid-carboxamide" "5-formamido-1-(5-phosphoribosyl)-imidazole-4-carboxamide" "FAICAR" "5-formylamidoimidazole-4-carboxamide ribonucleotide") ("5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide" "5'-p-Ribosyl-5-formamido-4-imidazolecarboxamide" "5'-phosphoribosyl-5-formamido-4-imidazole carboxamide" "5'-p-Ribosyl-5-formamido-4-imidazole carboxamide" "5-Phosphoribosyl-5-formamido-4-imid-carboxamide" "5-formamido-1-(5-phosphoribosyl)-imidazole-4-carboxamide" "FAICAR")
AICAR aminoimidazole carboxamide ribonucleotide ("Z-nucleotide" "AICAR" "AICA ribonucleotide" "5'-phosphoribosyl-5-amino-4-imidazole carboxamide" "5-amino-4-imidazolecarboxamide ribotide" "5'-P-ribosyl-5-amino-4-imidazole carboxamide" "5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide") ("5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide" "AICAR" "Z-nucleotide" "aminoimidazole carboxamide ribonucleotide" "AICA ribonucleotide" "5'-phosphoribosyl-5-amino-4-imidazole carboxamide" "5-amino-4-imidazolecarboxamide ribotide" "5'-P-ribosyl-5-amino-4-imidazole carboxamide")
PHOSPHORIBOSYL-FORMIMINO-AICAR-P 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide ("phosphoribosylformiminoAICAR-phosphate" "phosphoribosyl-formimino-aicar-P" "phosphoribosylformiminoAICAR-P" "5-(5-phospho-D-ribosyl-aminoformimino)-1-(5-phosphoribosyl)-imidazole4-carboxamide" "5-(5'-phospho-D-ribosyl-aminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide" "N-5-phosphoribosyl-formimino-5-amino-imidazole-4-carboxamide ribonucleotide" "N-(5'-phospho-D-ribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide") ("1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide" "phosphoribosyl-formimino-aicar-P" "phosphoribosylformiminoAICAR-P" "5-(5-phospho-D-ribosyl-aminoformimino)-1-(5-phosphoribosyl)-imidazole4-carboxamide" "5-(5'-phospho-D-ribosyl-aminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide" "N-5-phosphoribosyl-formimino-5-amino-imidazole-4-carboxamide ribonucleotide" "N-(5'-phospho-D-ribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide")
4-AMINO-BUTYRALDEHYDE 4-aminobutanal ("4-amino-butyraldehyde" "γ-aminobutyraldehyde" "4-aminobutyraldehyde") ("4-aminobutanal" "4-amino-butyraldehyde" "γ-aminobutyraldehyde" "4-aminobutyraldehyde")
PUTRESCINE putrescine ("diaminobutane" "1,4-diaminobutane" "1,4-butanediamine" "tetramethylenediamine") ("diaminobutane" "1,4-diaminobutane" "1,4-butanediamine" "tetramethylenediamine" "putrescine")
CADAVERINE cadaverine ("diaminopentane" "1,5-Diaminopentane" "1,5-pentanediamine" "pentamethylenediamine" "BioDex 1-") ("diaminopentane" "1,5-Diaminopentane" "1,5-pentanediamine" "pentamethylenediamine" "BioDex 1-" "cadaverine")
5-10-METHENYL-THF 5,10-methenyltetrahydrofolate ("n5-n10-CH-THF" "n5-n10-methenyltetrahydrofolate" "CH-THF" "5,10-methenyl-THF" "anhydroleucovorin" "methenyl-tetrahydrofolate" "methenyl-THF" "methenyl-H4F") ("5,10-methenyltetrahydrofolate" "n5-n10-CH-THF" "n5-n10-methenyltetrahydrofolate" "CH-THF" "5,10-methenyl-THF" "anhydroleucovorin" "methenyl-tetrahydrofolate" "methenyl-THF" "methenyl-H4F")
CIS-3-HEXENOL (3Z)-hex-3-en-ol cis-3-hexenol NIL
BUTANEDIOL (R,R)-2,3-butanediol ("D(-)-2,3-butanediol" "2,3-butylene glycol" "2,3-butanediol" "butanediol" "(R,R)-butane-2,3-diol" "(R,R)-2,3-butylene glycol") ("D(-)-2,3-butanediol" "2,3-butylene glycol" "(R,R)-2,3-butanediol" "butanediol" "(R,R)-Butane-2,3-diol" "(R,R)-2,3-Butylene glycol")
D-MYO-INOSITOL-1-MONOPHOSPHATE 1D-myo-inositol (1)-monophosphate ("1D-myo-inositol (1)-monophosphate" "1D-myo-Inositol 1-phosphate" "D-myo-inositol (1)-monophosphate" "Ins(1)P1" "1-D-myo-inositol-1-p" "Ins(1)P" "1D-myo-inositol 1-phosphate" "Ins1P") ("1D-myo-inositol 1-phosphate" "Ins(1)P1" "1-D-myo-inositol-1-p" "Ins(1)P" "1D-myo-inositol (1)-monophosphate" "Ins1P")
CPD-6746 1D-myo-inositol (2) monophosphate ("D-myo-inositol (2) monophosphate" "Ins(2)P1" "Ins(2)P" "Ins2P") ("1D-myo-inositol (2) monophosphate" "Ins(2)P1" "Ins(2)P" "Ins2P")
1-L-MYO-INOSITOL-1-P 1D-myo-inositol (3)-monophosphate ("1D-myo-inositol 3-monophosphate" "1-L-myo-inositol-1-p" "L-myo-inositol 1-phosphate" "inositol 1-phosphate" "myo-inositol 1-phosphate" "1D-myo-inositol 3-phosphate" "Ins(3)P1" "D-myo-inositol (3)-monophosphate" "myo-inositol 1-monophosphate" "Ins3P" "1L-myo-inositol 1-phosphate" "myo-inositol phosphate") ("1-L-myo-inositol-1-p" "L-myo-inositol 1-phosphate" "inositol 1-phosphate" "myo-inositol 1-phosphate" "1D-myo-inositol 3-phosphate" "Ins(3)P1" "1D-myo-inositol 3-monophosphate" "myo-inositol 1-monophosphate" "Ins3P" "1L-myo-inositol 1-phosphate" "myo-inositol phosphate")
MI-HEXAKISPHOSPHATE 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate ("phytic acid" "phytate" "myo-inositol hexakisphosphate" "D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate" "myo-Inositol 1,2,3,4,5,6-hexakisphosphate" "Inositol 1,2,3,4,5,6-hexakisphosphate" "InsP6" "1D-myo-Inositol hexakisphosphate") ("phytic acid" "myo-inositol hexakisphosphate" "1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate" "D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate" "myo-Inositol 1,2,3,4,5,6-hexakisphosphate" "Inositol 1,2,3,4,5,6-hexakisphosphate" "InsP6")
CPD-6661 1D-myo-inositol (1,2,3,4,6)-pentakisphosphate ("Ins(1,2,3,4,6)P5" "D-myo-inositol (1,2,3,4,6)-pentakisphosphate" "inositol (1,2,3,4,6)-pentakisphosphate") ("Ins(1,2,3,4,6)P5" "1D-myo-inositol (1,2,3,4,6)-pentakisphosphate" "inositol (1,2,3,4,6)-pentakisphosphate")
INOSITOL-1-4-5-TRISPHOSPHATE D-myo-inositol (1,4,5)-trisphosphate ("inositol (1,4,5)-trisphosphate" "1D-myo-inositol (1,4,5)-trisphosphate" "Ins(1,4,5)P3" "I(1,4,5)P3" "InsP3" "IP3" "triphosphoinositol") ("inositol (1,4,5)-trisphosphate" "1D-myo-inositol (1,4,5)-trisphosphate" "Ins(1,4,5)P3" "I(1,4,5)P3")
1133 Compounds have differences in slot DBLINKS between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
D-myo-inositol-pentakisphosphates a D myo-inositol penta kis phosphate (LIGAND-CPD C15991 NIL kothari 3498928750 NIL NIL) NIL
Myo-inositol-penta-kis-phosphates a myo-inositol pentakisphosphate (CHEBI 25447 NIL kothari 3505486446 NIL NIL) NIL
Pyrophosphate-inositol-phosphates a pyrophosphate-containing inositol phosphate (LIGAND-CPD C11524 NIL kothari 3498922915 NIL NIL) NIL
Myo-inositol-polyphosphates a myo-inositol-polyphosphate ((CHEBI "18087" NIL |kothari| 3498922973 NIL NIL) (LIGAND-CPD "C11525" NIL |kothari| 3498922973 NIL NIL)) NIL
Myo-inositol-monophosphates a myo-inositol monophosphate (LIGAND-CPD C15585 NIL kothari 3498929199 NIL NIL) NIL
glycols a glycol ((LIGAND-CPD "C15588" NIL |kothari| 3499020182 NIL NIL) (CHEBI "13643" NIL |kothari| 3498958132 NIL NIL)) NIL
Aliphatic-Alpha-Omega-Diamines an aliphatic α,ω-diamine ((LIGAND-CPD "C03687" NIL |kothari| 3499017123 NIL NIL) (CHEBI "35411" NIL |kothari| 3499017123 NIL NIL)) NIL
Aliphatic-N-Acetyl-Diamines an aliphatic N-acetyl-diamine ((CHEBI "35414" NIL |kothari| 3499048199 NIL NIL) (LIGAND-CPD "C02297" NIL |kothari| 3499048199 NIL NIL)) NIL
Primary-Amines a primary amine ((CHEBI "17062" NIL |kothari| 3499091763 NIL NIL) (LIGAND-CPD "C00375" NIL |kothari| 3499091763 NIL NIL)) NIL
Aliphatic-Amides an aliphatic amide (LIGAND-CPD C02244 NIL taltman 3459474374 NIL NIL) NIL
Monocarboxylic-Acid-Amides a monocarboxylic-acid-amide (LIGAND-CPD C03620 NIL kothari 3498923216 NIL NIL) NIL
Reduced-Factor-F420 a reduced cofactor F420 ((LIGAND-CPD "C01080" NIL |kothari| 3499177976 NIL NIL) (CHEBI "15823" NIL |kothari| 3499177976 NIL NIL)) NIL
Formyl-methanofurans formyl-methanofuran (LIGAND-CPD C01001 NIL taltman 3466371734 NIL NIL) NIL
Methanofurans methanofuran (LIGAND-CPD C00862 NIL taltman 3466371734 NIL NIL) NIL
4-Hydroxy-3-polyprenylbenzoates a 4-hydroxy-3-polyprenylbenzoate (LIGAND-CPD C05848 NIL kothari 3499021450 NIL NIL) NIL
2-Lysophosphatidylcholines a 2-lysophosphatidylcholine ((LIGAND-CPD "C04230" NIL |kothari| 3499017819 NIL NIL) (CHEBI "17504" NIL |kothari| 3499017819 NIL NIL)) NIL
ACYL-SN-GLYCEROL-3P a 1-acyl-sn-glycerol-3-phosphate ((CHEBI "16975" NIL |kothari| 3498845768 NIL NIL) (LIGAND-CPD "C00681" NIL |kothari| 3498845728 NIL NIL)) NIL
1-Acylglycero-Phosphocholines a 1-acyl-2-lyso-glycerophosphocholine ((CHEBI "17504" NIL |kothari| 3499013820 NIL NIL) (LIGAND-CPD "C04230" NIL |kothari| 3499013820 NIL NIL)) NIL
2-Acylglycero-Phosphocholines a 1-lyso-2-acyl-sn-glycero-3-phosphocholine ((CHEBI "17504" NIL |kothari| 3498845263 NIL NIL) (LIGAND-CPD "C04230" NIL |kothari| 3498845263 NIL NIL)) NIL
1-Lysophosphatidates a 1-lysophosphatidate (LIGAND-CPD C03974 NIL taltman 3459474374 NIL NIL) NIL
1-Alkenyl-2-acyl-glyceroPethamines a 1-alkenyl-2-acylglycerophosphoethanolamine (LIGAND-CPD C04756 NIL taltman 3459474374 NIL NIL) NIL
Alkyl-enyl-acyl-gly-P-EtOH-amines an O-1-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine ((LIGAND-CPD "C04756" NIL |kothari| 3499092624 NIL NIL) (CHEBI "17476" NIL |kothari| 3499092624 NIL NIL)) NIL
Organyl-acyl-glycero-phosphocholines a 1-organyl-2-acyl-sn-glycero-3-phosphocholine (LIGAND-CPD C05212 NIL taltman 3466371734 NIL NIL) NIL
1-Alkyl-sn-glycerol-3-phosphates a 1-alkyl-sn-glycerol-3-phosphate (LIGAND-CPD C03968 NIL taltman 3459474374 NIL NIL) NIL
Alkyl-acyl-gly-P-EtOH-amines an O-1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine (LIGAND-CPD C04475 NIL kothari 3499092535 NIL NIL) NIL
1-Alkyl-sn-glycero-3-phosphocholines a 1-alkyl-sn-glycero-3-phosphocholine (LIGAND-CPD C04317 NIL kothari 3499013571 NIL NIL) NIL
Alkyl-acetyl-glycero-phosphocholines a 1-alkyl-2-acetyl-sn-glycero-3-phosphocholine (LIGAND-CPD C04598 NIL taltman 3466371734 NIL NIL) NIL
1-Alkenylglycerophosphoethanolamines a 1-alkenylglycerophosphoethanolamine (LIGAND-CPD C04635 NIL taltman 3459474374 NIL NIL) NIL
PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate ((LIGAND-CPD "C04637" NIL |kothari| 3494164439 NIL NIL) (PUBCHEM "24742074" NIL |caspi| 3464457831 NIL NIL)) NIL
CPD-1108 a 1-phosphatidyl-1D-myo-inositol 4-phosphate ((LIGAND-CPD "C01277" NIL |kothari| 3494164248 NIL NIL) (CHEBI "17526" NIL |taltman| 3466399919 NIL NIL) (PUBCHEM "24755482" NIL |caspi| 3464457412 NIL NIL)) ((CHEBI "17526" NIL |taltman| 3466399919 NIL NIL) (PUBCHEM "24755482" NIL |caspi| 3464457412 NIL NIL))
PHOSPHATIDYLINOSITOL-345-TRIPHOSPHATE 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate ((CHEBI "16618" NIL |kothari| 3498848744 NIL NIL) (LIGAND-CPD "C05981" NIL |kothari| 3498848744 NIL NIL)) NIL
1-PHOSPHATIDYL-1D-MYO-INOSITOL-5-PHOSPHA a 1-phosphatidyl-1D-myo-inositol 5-phosphate ((CHEBI "16500" NIL |taltman| 3498180761 NIL NIL) (LIGAND-CPD "C11557" NIL |kothari| 3494165974 NIL NIL) (PUBCHEM "24755481" NIL |caspi| 3464457464 NIL NIL)) ((CHEBI "16500" NIL |taltman| 3466400108 NIL NIL) (PUBCHEM "24755481" NIL |caspi| 3464457464 NIL NIL))
CPD-177 a 1-phosphatidyl-1D-myo-inositol 3-phosphate ((CHEBI "17283" NIL |kothari| 3494163526 NIL NIL) (LIGAND-CPD "C04549" NIL |kothari| 3494163526 NIL NIL)) NIL
1-PHOSPHATIDYL-1D-MYO-INOSITOL-34-BISPH a 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate ((LIGAND-CPD "C11554" NIL |kothari| 3494164316 NIL NIL) (CHEBI "16152" NIL |kothari| 3494164316 NIL NIL)) NIL
L-1-phosphatidyl-inositols an L-1-phosphatidyl-inositol ((CHEBI "16749" NIL |kothari| 3494173886 NIL NIL) (LIGAND-CPD "C01194" NIL |kothari| 3494173886 NIL NIL)) NIL
Lysophospholipids a lysophospholipid (LIGAND-CPD C06254 NIL kothari 3499048674 NIL NIL) NIL
Sphingomyelins a sphingomyelin (LIGAND-CPD C00550 NIL taltman 3459474374 NIL NIL) NIL
S-Alkyl-L-Cysteines an S-alkyl-L-cysteine ((CHEBI "C02749" NIL |kothari| 3498919879 NIL NIL) (LIGAND-CPD "47915" NIL |kothari| 3498919879 NIL NIL)) NIL
N-Methyl-L-Amino-Acids a N-methyl-L-amino acid (LIGAND-CPD C03148 NIL taltman 3466371734 NIL NIL) NIL
S-Substituted-L-Cysteines an L-cysteine-S-conjugate ((LIGAND-CPD "C05726" NIL |kothari| 3499017615 NIL NIL) (CHEBI "47910" NIL |kothari| 3499017615 NIL NIL)) NIL
N-Carbamoyl-L-Amino-Acids an N-carbamoyl-L-2-amino acid (LIGAND-CPD C11529 NIL taltman 3459474374 NIL NIL) NIL
N-Carbamoyl-D-Amino-Acids an N-carbamoyl D-amino acid (LIGAND-CPD C05226 NIL taltman 3459474374 NIL NIL) NIL
CPD-9973 an eIF5A deoxyhypusine ((LIGAND-CPD "C07282" NIL |taltman| 3466371734 NIL NIL) (PUBCHEM "25245844" NIL |taltman| 3451921009 NIL NIL)) NIL
PEPTIDE-FORMYLKYNURENINE a protein formylkynurenine (LIGAND-CPD C03529 NIL taltman 3466371734 NIL NIL) NIL
CPD-557 a protein-Nω-(ADP-D-ribosyl)-L-arginine (LIGAND-CPD C16011 NIL taltman 3466371734 NIL NIL) NIL
Protein-S-methyl-L-cysteine a protein-S-methyl-L-cysteine (LIGAND-CPD C03800 NIL kothari 3499091164 NIL NIL) NIL
Protein-6-N-octanoyl-lysine a protein 6-N-(octanoyl)lysine (LIGAND-CPD C16236 NIL taltman 3466371734 NIL NIL) NIL
Protein-6-N-lipoyl-lysine a protein 6-N-(lipoyl)lysine (LIGAND-CPD C16237 NIL taltman 3466371734 NIL NIL) NIL
Myelin-N-o-methyl-arginines [myelin basic protein]-Nω-methyl-arginine (LIGAND-CPD C05321 NIL kothari 3499091302 NIL NIL) NIL
Myelin-L-arginines [myelin basic protein]-L-arginine (LIGAND-CPD C05207 NIL taltman 3466371734 NIL NIL) NIL
Cytochrome-c-N-O-methyl-arginines [cytochrome c]-Nω-methyl-arginine (LIGAND-CPD C15529 NIL taltman 3466371734 NIL NIL) NIL
Cytochrome-c-arginines [cytochrome c]-L-arginine (LIGAND-CPD C15528 NIL taltman 3466371734 NIL NIL) NIL
Histone-N-o-methyl-arginines [histone]-Nω-methyl-arginine (LIGAND-CPD C05320 NIL kothari 3499091345 NIL NIL) NIL
Histone-L-arginines [histone]-L-arginine (LIGAND-CPD C05206 NIL taltman 3466371734 NIL NIL) NIL
Protein-N-phosphohistidine a protein-Nτ-phospho-L-histidine (LIGAND-CPD C04262 NIL taltman 3459474374 NIL NIL) NIL
Protein-3-phospho-L-histidines a protein-Nπ-phospho-L-histidine (LIGAND-CPD C04261 NIL kothari 3458491421 NIL NIL) NIL
Protein-N-methyl-histidines a protein Nτ-methyl-histidine (LIGAND-CPD C04087 NIL taltman 3459474374 NIL NIL) NIL
alpha-N-Peptidyl-LGlutamate an α-N-peptidyl-L-glutamate (LIGAND-CPD C03904 NIL taltman 3466371734 NIL NIL) NIL
Protein-tyrosine-phosphates a protein-L-tyrosine phosphate (LIGAND-CPD C01167 NIL taltman 3466371734 NIL NIL) NIL
LDL-receptor-O-phospho-L-serine [low-density-lipoprotein receptor]-O-phospho-L-serine (LIGAND-CPD C04565 NIL taltman 3466371734 NIL NIL) NIL
LDL-receptor-L-serine [low-density-lipoprotein receptor]-L-serine (LIGAND-CPD C04128 NIL taltman 3466371734 NIL NIL) NIL
Cytochrome-c-S-methyl-methionine a [cytochrome c]-S-methyl-methionine (LIGAND-CPD C05319 NIL taltman 3466371734 NIL NIL) NIL
Cytochrome-c-L-methionine a [cytochrome c]-methionine (LIGAND-CPD C05205 NIL taltman 3466371734 NIL NIL) NIL
Tubulin-acetyl-L-lysine an [α-tubulin]-N6-acetyl-L-lysine (LIGAND-CPD C04149 NIL taltman 3466371734 NIL NIL) NIL
Cytochrome-c-N6-methyl-lysine a [cytochrome c]-N6-methyl-L-lysine (LIGAND-CPD C04061 NIL taltman 3466371734 NIL NIL) NIL
Tubulin-L-Lysine an [α-tubuline]-L-lysine (LIGAND-CPD C03318 NIL kothari 3499047542 NIL NIL) NIL
Cytochrome-c-L-lysine a [cytochrome c]-L-lysine (LIGAND-CPD C03105 NIL taltman 3466371734 NIL NIL) NIL
EIF5A-LYSINE an eIF5A lysine (LIGAND-CPD C07281 NIL kothari 3498934463 NIL NIL) NIL
CPD-8649 a protein L-allysine (LIGAND-CPD C03531 NIL kothari 3499010610 NIL NIL) NIL
PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS a protein L-β-isoaspartate α-methyl ester (LIGAND-CPD C04311 NIL taltman 3466371734 NIL NIL) NIL
Peptide-3-hydroxy-L-Aspartates a peptide 3-hydroxy-L-aspartate (LIGAND-CPD C03957 NIL kothari 3499093777 NIL NIL) NIL
Protein-L-Asparagine a protein L-asparagine (LIGAND-CPD C03021 NIL kothari 3499035468 NIL NIL) NIL
Protein-L-Arginines a protein L-arginine (LIGAND-CPD C00613 NIL taltman 3459474374 NIL NIL) NIL
Protein-Histidines a protein L-histidine (LIGAND-CPD C00615 NIL kothari 3458490965 NIL NIL) NIL
Protein-Glycines a protein glycine (LIGAND-CPD C02303 NIL taltman 3459474374 NIL NIL) NIL
PROT-CYS a protein L-cysteine (LIGAND-CPD C02743 NIL taltman 3466371734 NIL NIL) NIL
Protein-D-serines a protein D-serine (LIGAND-CPD C06396 NIL taltman 3466371734 NIL NIL) NIL
Protein-Glutamates a protein L-glutamate (LIGAND-CPD C00614 NIL kothari 3498923136 NIL NIL) NIL
Protein-Tyrosines a protein L-tyrosine (LIGAND-CPD C00585 NIL kothari 3494172987 NIL NIL) NIL
Protein-L-serines a protein L-serine (LIGAND-CPD C02189 NIL taltman 3466371734 NIL NIL) NIL
PEPTIDE-TRYPTOPHAN a protein L-tryptophan (LIGAND-CPD C02732 NIL taltman 3466371734 NIL NIL) NIL
EIF5A-HYPUSINE an eIF5A-hypusine (LIGAND-CPD C04679 NIL kothari 3499092711 NIL NIL) NIL
Protein-L-lysine a protein L-lysine (LIGAND-CPD C02188 NIL taltman 3466371734 NIL NIL) NIL
Protein-L-glutamine a protein-L-glutamine (LIGAND-CPD C02583 NIL taltman 3466371734 NIL NIL) NIL
Protein-L-Aspartates a protein L-aspartate (LIGAND-CPD C02871 NIL kothari 3499093744 NIL NIL) NIL
Acyl-L-Lysines an N6acyl-L-lysine (LIGAND-CPD C02444 NIL taltman 3459474374 NIL NIL) NIL
N-Acylated-Amino-Acids an N-acyl-L-amino acid (LIGAND-CPD C02850 NIL taltman 3466371734 NIL NIL) NIL
3-Oxo-5-Beta-Steroids a 3-oxo-5-β-steroid (LIGAND-CPD C02797 NIL taltman 3466371734 NIL NIL) NIL
3-Oxo-Delta-1-Steroids a 3-oxo-D1-steroid (LIGAND-CPD C02941 NIL taltman 3466371734 NIL NIL) NIL
3-Oxo-5-Alpha-Steroids a 3-oxo-5-α-steroid (LIGAND-CPD C02940 NIL kothari 3499091951 NIL NIL) NIL
3-oxo-D5-steroids a 3-oxo-δ5-steroid (LIGAND-CPD C01034 NIL kothari 3498875227 NIL NIL) NIL
7-Oxosteroids a 7-oxosteroid (LIGAND-CPD C01881 NIL taltman 3466371734 NIL NIL) NIL
11-Oxosteroids an 11-oxosteroid (LIGAND-CPD C01985 NIL taltman 3466371734 NIL NIL) NIL
11-Beta-Hydroxysteroids1 an 11-β-hydroxysteroid (LIGAND-CPD C01058 NIL taltman 3466371734 NIL NIL) NIL
3b-hydroxy-D5-steroids a 3β-hydroxy-δ5-steroid (LIGAND-CPD C03836 NIL taltman 3466371734 NIL NIL) NIL
21-Hydroxysteroids a 21-hydroxysteroid (LIGAND-CPD C02506 NIL taltman 3466371734 NIL NIL) NIL
7-Beta-Hydroxysteroids a 7-β-hydroxysteroid (LIGAND-CPD C02956 NIL kothari 3499003892 NIL NIL) NIL
17-Alpha-Hydroxysteroids a 17-α-hydroxysteroid (LIGAND-CPD C03051 NIL taltman 3466371734 NIL NIL) NIL
Steroid-Esters a steroid ester (LIGAND-CPD C15506 NIL taltman 3466371734 NIL NIL) NIL
CIS-D2-ENOYL-COA a cis-2,3-dehydroacyl-CoA (LIGAND-CPD C01122 NIL taltman 3466371734 NIL NIL) NIL
R-2-METHYLACYL-COA a (2R)-2-methylacyl-CoA ((CHEBI "15450" NIL |kothari| 3493151888 NIL NIL) (LIGAND-CPD "
C05329" NIL |kothari| 3493151888 NIL NIL)) NIL
S-2-METHYLACYL-COA a (2S)-2-methylacyl-CoA ((CHEBI "15451" NIL |kothari| 3493153919 NIL NIL) (LIGAND-CPD "
C05232" NIL |kothari| 3493153919 NIL NIL)) NIL
L-3-HYDROXYACYL-COA a (3S)-3-hydroxyacyl-CoA ((CHEBI "15455" NIL |kothari| 3495387069 NIL NIL) (LIGAND-CPD "C00640" NIL |kothari| 3495387069 NIL NIL)) NIL
Cis-2-enoyl-CoAs a cis-2-enoyl-CoA (LIGAND-CPD C05056 NIL taltman 3466371734 NIL NIL) NIL
Lactoyl-CoAs lactoyl-CoA ((CHEBI "15529" NIL |kothari| 3495292494 NIL NIL) (LIGAND-CPD "C00827" NIL |kothari| 3495292494 NIL NIL)) NIL
3-HYDROXY-ISOBUTYRYL-COA 3-hydroxy-isobutyryl-CoA ((PUBCHEM "25245252" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04047" NIL |taltman| 3459474373 NIL NIL)) NIL
Trans-3-enoyl-CoAs a trans-3-enoyl-CoA (LIGAND-CPD C05067 NIL taltman 3466371734 NIL NIL) NIL
CIS-DELTA3-ENOYL-COA a cis-3-enoyl-CoA (LIGAND-CPD C05057 NIL taltman 3466371734 NIL NIL) NIL
CPD-432 a multi-methyl-branched acyl-CoA (LIGAND-CPD C04013 NIL kothari 3494210726 NIL NIL) NIL
TETRADEHYDROACYL-COA a trans,trans-Δ2-Δ4-dienoyl-CoA (LIGAND-CPD C04512 NIL taltman 3459474374 NIL NIL) NIL
D-Galactosyl-12-diacyl-glycerols a monogalactosyldiacylgycerol ((CHEBI "17615" NIL |kothari| 3498844408 NIL NIL) (LIGAND-CPD "C03692" NIL |kothari| 3498844408 NIL NIL)) NIL
Galactosyl-galactosyl-diacyl-glycerols a digalactosyldiacylglycerol ((LIGAND-CPD "C06037" NIL |kothari| 3499016203 NIL NIL) (CHEBI "28396" NIL |kothari| 3499016203 NIL NIL)) NIL
1-Alkyl-2-acetyl-sn-glycerols a 1-alkyl-2-acetyl-sn-glycerol (LIGAND-CPD C03820 NIL taltman 3459474374 NIL NIL) NIL
1-Alkyl-2-acetyl-sn-glycero-3-phosphates a 1-alkyl-2-acetyl-sn-glycero-3-phosphate (LIGAND-CPD C01264 NIL taltman 3459474374 NIL NIL) NIL
Monoacylglycerols a monoacylglycerol ((LIGAND-CPD "C01885" NIL |kothari| 3498848217 NIL NIL) (CHEBI "17408" NIL |kothari| 3498848217 NIL NIL)) NIL
Long-Chain-Acyl-Ethyl-Esters a long-chain-fatty-acyl ethyl ester (LIGAND-CPD C04202 NIL taltman 3466371734 NIL NIL) NIL
Fatty-Acid-Methyl-Esters a fatty acid methyl ester (LIGAND-CPD C03395 NIL taltman 3459474374 NIL NIL) NIL
3-Beta-Hydroxysterol-Esters a 3-β-hydroxysterol ester (LIGAND-CPD C03587 NIL taltman 3466371734 NIL NIL) NIL
Retinyl-Esters a retinyl ester (LIGAND-CPD C02075 NIL taltman 3459474374 NIL NIL) NIL
Cholesterol-esters a cholesterol ester (LIGAND-CPD C02530 NIL taltman 3459474374 NIL NIL) NIL
Acetic-Esters an acetic ester (LIGAND-CPD C01883 NIL taltman 3459474374 NIL NIL) NIL
Wax-Esters a wax ester (LIGAND-CPD C01629 NIL taltman 3466371734 NIL NIL) NIL
O-Acyl-L-Carnitines an O-acyl-L-carnitine (LIGAND-CPD C02301 NIL taltman 3459474374 NIL NIL) NIL
Poly-3-hydroxyoctanoate poly-3-hydroxyoctanoate (LIGAND-CPD C11549 NIL taltman 3466371734 NIL NIL) NIL
Steryl-Esters a steryl-ester (LIGAND-CPD C01958 NIL taltman 3466371734 NIL NIL) NIL
Glucosyl-Lipopolysaccharides an α-D-glucosyl-lipopolysaccharide (LIGAND-CPD C04266 NIL taltman 3459474374 NIL NIL) NIL
3-Deoxyoctulosonyl-Lipopolysaccharides a 3-deoxyoctulosonyl-lipopolysaccharide (LIGAND-CPD C06744 NIL taltman 3459474374 NIL NIL) NIL
3-Alpha-Mannosyl-Heteroglycans 3-(alpha-D-mannosyl)-heteroglycan (LIGAND-CPD C04098 NIL taltman 3466371734 NIL NIL) NIL
2-Alpha-Mannosyl-Heteroglycans 2-(α-D-mannosyl)-heteroglycan (LIGAND-CPD C04097 NIL taltman 3466371734 NIL NIL) NIL
1-3-beta-D-Glucans a 1,3-β-D-glucan ((CHEBI "37671" NIL |kothari| 3499013463 NIL NIL) (LIGAND-CPD "C00965" NIL |kothari| 3499013463 NIL NIL)) NIL
1-4-beta-D-Glucan a 1,4-β-D-glucan ((CHEBI "18246" NIL |kothari| 3499016597 NIL NIL) (LIGAND-CPD "C00760" NIL |kothari| 3499016476 NIL NIL) (CAS "9004-34-6")) ((CAS "9004-34-6"))
1-3-alpha-D-Glucans a 1,3-α-D-glucan (LIGAND-CPD C02616 NIL kothari 3499035419 NIL NIL) NIL
POLY-GLUCOSYLATED-GLYCOGENINS a glucosylated glycogenin (LIGAND-CPD C03399 NIL taltman 3466371734 NIL NIL) NIL
Lambda-Carrageenan λ-carrageenan (CHEBI 37167 NIL anuradha 3469795713 NIL NIL) NIL
Inulin an inulin ((PUBCHEM "439552" NIL |kothari| 3477273618 NIL NIL) (LIGAND-CPD "C03323" NIL |qwan| 3371494739 NIL NIL) (CAS "9005-80-5" NIL |hopkinso| 3312664542 NIL NIL)) ((PUBCHEM "440080" NIL |hopkinso| 3317147545 NIL NIL) (LIGAND-CPD "C03661" NIL |kr| 3410284649 NIL NIL) (LIGAND-CPD "C03323" NIL |qwan| 3371494739 NIL NIL) (PUBCHEM "24763" NIL |hopkinso| 3324392504 NIL NIL) (CAS "9005-80-5" NIL |hopkinso| 3312664542 NIL NIL))
CHITIN chitin ((LIGAND-CPD "C00461" NIL |kothari| 3498870030 NIL NIL) (CHEBI "17029" NIL |kothari| 3498870030 NIL NIL) (|Wikipedia| "Chitin" NIL |caspi| 3415908261 NIL NIL)) NIL
CELLULOSE cellulose ((LIGAND-CPD "C00760" NIL |sreddy| 3295117790 NIL NIL)) ((LIGAND-CPD "C00760" NIL |sreddy| 3295117790 NIL NIL) (CAS "9004-34-6"))
Chitosan chitosan ((LIGAND-CPD "C00734" NIL |taltman| 3466371734 NIL NIL) (|Wikipedia| "Chitosan" NIL |caspi| 3415907994 NIL NIL)) ((|Wikipedia| "Chitosan" NIL |caspi| 3415907994 NIL NIL))
KERATAN-6-SULFATE keratan sulfate ((LIGAND-CPD "C00573" NIL |kothari| 3498930683 NIL NIL) (|Wikipedia| "Keratan_sulfate" NIL |caspi| 3489340163 NIL NIL) (BRENDA-COMPOUND "11905" NIL |kothari| 3467044334 NIL NIL)) ((BRENDA-COMPOUND "11905" NIL |kothari| 3467044334 NIL NIL) (LIGAND-CPD "C00573" NIL |sreddy| 3299363299 NIL NIL))
Hyaluronan hyaluronan ((LIGAND-CPD "C00518" NIL |kothari| 3498922678 NIL NIL) (CHEBI "16336" NIL |kothari| 3498922678 NIL NIL) (|Wikipedia| "Hyaluronan" NIL |caspi| 3489330549 NIL NIL)) ((|Wikipedia| "Hyaluronan" NIL |caspi| 3489330549 NIL NIL))
Chondroitin-sulfates chondroitin sulfate ((|Wikipedia| "Chondroitin_sulfate" NIL |caspi| 3489264314 NIL NIL) (LIGAND-CPD "C00607" NIL |taltman| 3466371734 NIL NIL)) NIL
D-Galactosylglycosaminoglycans a D-galactosylglycosaminoglycan ((LIGAND-CPD "C03942" NIL |kothari| 3499035557 NIL NIL) (PUBCHEM "25245967" NIL |taltman| 3466375283 NIL NIL)) NIL
Feruloyl-polysaccharides a feruloyl-polysaccharide (LIGAND-CPD C06741 NIL taltman 3466371734 NIL NIL) NIL
Heteroglycans heteroglycan (LIGAND-CPD C01923 NIL taltman 3466371734 NIL NIL) NIL
Glycogens a glycogen (CHEBI 24384 NIL kothari 3492447369 NIL NIL) NIL
Agaroses an agarose (LIGAND-CPD C01399 NIL taltman 3466371734 NIL NIL) NIL
Fructans a fructan (Wikipedia Fructan NIL caspi 3410623531 NIL NIL) NIL
Pectin a pectin ((LIGAND-CPD "C00714" NIL |kothari| 3498929840 NIL NIL) (CAS "9000-69-5" NIL |kothari| 3498929840 NIL NIL) (CHEBI "17309" NIL |kothari| 3498929840 NIL NIL) (|Wikipedia| "Pectin" NIL |caspi| 3449415636 NIL NIL) (PUBCHEM "451205" NIL |caspi| 3449415636 NIL NIL)) NIL
Galactogen a galactogen (LIGAND-CPD C01698 NIL taltman 3466371734 NIL NIL) NIL
PECTATE a pectate ((CHEBI "33885" NIL |taltman| 3498850556 NIL NIL) (LIGAND-CPD "C00470" NIL |kothari| 3498848283 NIL NIL) (PUBCHEM "445929" NIL |qwan| 3367601924 NIL NIL)) ((PUBCHEM "445929" NIL |qwan| 3367601924 NIL NIL))
Glycosaminoglycans a glycosaminoglycan (LIGAND-CPD C02545 NIL taltman 3466371734 NIL NIL) NIL
Beta-b-L-arabinosides a β-L-arabinoside (LIGAND-CPD C01032 NIL taltman 3466371734 NIL NIL) NIL
Alditols an alditol ((CHEBI "17522" NIL |kothari| 3499004178 NIL NIL) (LIGAND-CPD "C00717" NIL |kothari| 3499004178 NIL NIL)) NIL
Lipid-linked-mannosyl-oligos a lipid-linked oligosaccharide (LIGAND-CPD C00678 NIL taltman 3466371734 NIL NIL) NIL
GLYCOPROTEIN-ETCETERA-GALACTOSE a glycoprotein-α-L-fucosyl-(1,2)-D-galactose (LIGAND-CPD C04648 NIL taltman 3459474374 NIL NIL) NIL
RIBOSE D-ribose ((CHEBI "16988" NIL |kothari| 3498326593 NIL NIL) (PUBCHEM "5311110" NIL |caspi| 3428346370 NIL NIL) (LIGAND-CPD "C00121" NIL |kaipa| 3311532622 NIL NIL) (CAS "50-69-1")) ((CHEBI "16988" NIL |kothari| 3498326593 NIL NIL) (PUBCHEM "5311110" NIL |caspi| 3428346370 NIL NIL) (CHEBI "47014" NIL |caspi| 3428346370 NIL NIL) (LIGAND-CPD "C00121" NIL |kaipa| 3311532622 NIL NIL) (CAS "50-69-1"))
D-Aldoses a D-aldose ((LIGAND-CPD "C00737" NIL |kothari| 3499004257 NIL NIL) (CHEBI "16362" NIL |kothari| 3499004257 NIL NIL)) NIL
ADP-Aldoses an ADP-aldose (LIGAND-CPD C01547 NIL taltman 3466371734 NIL NIL) NIL
MANNOSE D-mannose ((CHEBI "4208" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "18950" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00159" NIL |kaipa| 3311532622 NIL NIL) (CAS "3458-28-4")) ((LIGAND-CPD "C00159" NIL |kaipa| 3311532622 NIL NIL) (CAS "3458-28-4"))
2-Dehydropyranoses a 2-dehydropyranose (LIGAND-CPD C15593 NIL taltman 3466371734 NIL NIL) NIL
L-FUCOSE L-fucose ((CHEBI "2181" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "17106" NIL |kr| 3451340490 NIL NIL) (LIGAND-CPD "C01019" NIL |keseler| 3440194900 NIL NIL) (CAS "2438-80-4" NIL |kr| 3346617699 NIL NIL)) ((PUBCHEM "5351449" NIL |keseler| 3403272197 NIL NIL) (CHEBI "18287" NIL |keseler| 3405288465 NIL NIL) (CAS "2438-80-4" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C01019" NIL |kaipa| 3311532622 NIL NIL))
L-rhamnose L-rhamnose ((CHEBI "16055" NIL |kothari| 3466530129 NIL NIL) (CAS "3615-41-6" NIL |kothari| 3466530110 NIL NIL) (LIGAND-CPD "C00507" NIL |taltman| 3459474374 NIL NIL)) ((LIGAND-CPD "C00507" NIL |taltman| 3459474374 NIL NIL))
SORBOSE a sorbose ((CHEBI "130494" NIL |taltman| 3498180761 NIL NIL) (LIGAND-CPD "C01452" NIL |kothari| 3466533971 NIL NIL) (PUBCHEM "1101" NIL |caspi| 3411226026 NIL NIL)) ((PUBCHEM "1101" NIL |caspi| 3411226026 NIL NIL) (LIGAND-CPD "C00247" NIL |kaipa| 3311532625 NIL NIL) (CAS "87-79-6"))
FRU D-fructose ((CAS "30237-26-4") (CHEBI "15824" NIL |amackie| 3443472809 NIL NIL) (CAS "57-48-7" NIL |kr| 3346617698 NIL NIL) (LIGAND-CPD "C00095" NIL |kr| 3346617698 NIL NIL)) ((CAS "57-48-7" NIL |kr| 3346617698 NIL NIL) (LIGAND-CPD "C00095" NIL |kr| 3346617698 NIL NIL) (CAS "30237-26-4"))
Pyranoses a pyranose (LIGAND-CPD C15592 NIL kothari 3499008690 NIL NIL) NIL
D-Gal-NAc--Glycoproteins an N-acetyl-D-galactosalaminyl-[glycoprotein] (LIGAND-CPD C04135 NIL kothari 3499046848 NIL NIL) NIL
GLUCOSAMINE D-glucosamine ((CHEBI "407165" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "739" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00329" NIL |kr| 3346617699 NIL NIL) (CAS "3416-24-8")) ((PUBCHEM "739" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00329" NIL |kr| 3346617699 NIL NIL) (CAS "3416-24-8"))
Aldoses an aldose ((CHEBI "15693" NIL |kothari| 3499004123 NIL NIL) (LIGAND-CPD "C01370" NIL |kothari| 3499004123 NIL NIL)) NIL
Dialkyl-phosphates a dialkyl phosphate (LIGAND-CPD C02534 NIL kothari 3498927858 NIL NIL) NIL
3-Acyl-pyruvates a 3-acylpyruvate (LIGAND-CPD C02119 NIL taltman 3459474374 NIL NIL) NIL
Alpha-D-Glucuronides an α-D-glucuronoside (LIGAND-CPD C06370 NIL taltman 3459474374 NIL NIL) NIL
Beta-D-Glucuronides a β-D-glucuronoside (LIGAND-CPD C03033 NIL taltman 3459474374 NIL NIL) NIL
3-Dehydropyranosides a 3-dehydropyranoside (LIGAND-CPD C15595 NIL kothari 3499008820 NIL NIL) NIL
Thioglucosides a thioglucoside (LIGAND-CPD C02085 NIL kothari 3498927502 NIL NIL) NIL
Pyranosides a pyranoside (LIGAND-CPD C15594 NIL kothari 3499008841 NIL NIL) NIL
NAcMur-Peptide-NAcGlc-Undecaprenols a lipid II (LIGAND-CPD C06226 NIL taltman 3466371734 NIL NIL) NIL
6-Phospho-b-D-galactosides a 6-phospho-β-D-galactoside (LIGAND-CPD C03847 NIL taltman 3459474374 NIL NIL) NIL
D-Hexose-Phosphate a D-hexose-phosphate (LIGAND-CPD C02672 NIL taltman 3466371734 NIL NIL) NIL
DEOXY-RIBOSE-5P 2-deoxy-D-ribose-5-phosphate ((CHEBI "370187" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245723" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00673" NIL |kr| 3346617701 NIL NIL) (CAS "102916-66-5")) ((PUBCHEM "25245723" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00673" NIL |kr| 3346617701 NIL NIL) (CAS "102916-66-5"))
DEOXY-RIBOSE-1P deoxyribose-1-phosphate ((PUBCHEM "25244374" NIL |taltman| 3466375285 NIL NIL)) ((LIGAND-CPD "C00672" NIL |kr| 3346617701 NIL NIL) (CAS "17210-42-3"))
D-ALPHABETA-D-HEPTOSE-7-PHOSPHATE D-glycero-D-manno-heptose-7-phosphate ((PUBCHEM "46173155" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C07836" NIL |keseler| 3409492121 NIL NIL)) ((PUBCHEM "25244654" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C07836" NIL |keseler| 3409492121 NIL NIL))
6-Acetyl-Beta-D-Galactosides a 6-acetyl-β-D-galactoside ((CHEBI "28250" NIL |kothari| 3499047989 NIL NIL) (LIGAND-CPD "C03773" NIL |kothari| 3499047989 NIL NIL)) NIL
Cyclic-2-3-Ribonucleoside-Monophosphates a nucleoside 2',3'-cyclic phosphate (LIGAND-CPD C01240 NIL taltman 3459474374 NIL NIL) NIL
Deoxy-Ribonucleoside-Diphosphates a deoxyribonucleoside diphosphate (LIGAND-CPD C04232 NIL taltman 3466371734 NIL NIL) NIL
Ribonucleosides a ribonucleoside ((CHEBI "18254" NIL |kothari| 3505489864 NIL NIL) (LIGAND-CPD "C00911" NIL |kothari| 3505489864 NIL NIL)) ((LIGAND-CPD "C00911" NIL |kothari| 3505489864 NIL NIL) (CHEBI "18254" NIL |kothari| 3505489864 NIL NIL) (LIGAND-CPD "C00801" NIL |sreddy| 3299604180 NIL NIL))
DNA-N4-Methylcytosine a DNA-N4-methylcytosine (LIGAND-CPD C03110 NIL taltman 3466371734 NIL NIL) NIL
DNA-Cytosine a DNA cytosine (LIGAND-CPD C00856 NIL kothari 3499091380 NIL NIL) NIL
5-Dephospho-DNA a 5'-Dephospho-DNA (LIGAND-CPD C02374 NIL taltman 3466371734 NIL NIL) NIL
5-Phospho-DNA a 5'-phospho-DNA (LIGAND-CPD C02128 NIL taltman 3466371734 NIL NIL) NIL
N6-Alkylaminopurine-glucoside an N6-alkylaminopurine-7-β-D-glucoside (LIGAND-CPD C04422 NIL taltman 3466371734 NIL NIL) NIL
Purine-Mononucleotides a purine mononucleotide (LIGAND-CPD C05325 NIL taltman 3466371734 NIL NIL) NIL
Thiopurine-Methylethers a thiopurine S-methylether (LIGAND-CPD C03542 NIL taltman 3466371734 NIL NIL) NIL
Pyrimidine-nucleotides a pyrimidine nucleotide (CHEBI 26441 NIL kothari 3499020285 NIL NIL) NIL
ADP-D-Ribosyl-Acceptors a ADP-D-ribosyl acceptor (LIGAND-CPD C03245 NIL kothari 3499021625 NIL NIL) NIL
ADP-SUGARS an ADP-sugar (LIGAND-CPD C01469 NIL kothari 3471191951 NIL NIL) NIL
Pyrimidines a pyrimidine ((LIGAND-CPD "C00396" NIL |kothari| 3499020508 NIL NIL) (CHEBI "39447" NIL |kothari| 3492528207 NIL NIL)) NIL
THF-GLU-N a tetrahydrofolate-glutamate ((PUBCHEM "25202940" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03541" NIL |taltman| 3466371734 NIL NIL)) NIL
Vitamins-B12 a vitamin B12 NIL (CAS 68-19-9 NIL kaipa 3311455031 NIL NIL)
DL-CARNITINE a D,L-carnitine (LIGAND-CPD C00487 NIL taltman 3466371734 NIL NIL) NIL
All-Folates a folate ((CHEBI "37445" NIL |caspi| 3498244653 NIL NIL) (|Wikipedia| "Folate" NIL |caspi| 3498244376 NIL NIL)) NIL
PENICILLIN a penicillin (LIGAND-CPD C00395 NIL taltman 3459474374 NIL NIL) NIL
Kanamycin-3-phosphates a kanamycin-3-phosphate (LIGAND-CPD C03281 NIL taltman 3466371734 NIL NIL) NIL
N3-Acetal-deoxystreptamine-antib an N3'-acetyl-2-deoxystreptamine antibiotic (LIGAND-CPD C04504 NIL taltman 3466371734 NIL NIL) NIL
Beta-Lactams a β-lactam ((CHEBI "35627" NIL |caspi| 3498234513 NIL NIL) (LIGAND-CPD "C01866" NIL |taltman| 3459474374 NIL NIL)) NIL
Deoxystreptamine-Antib a 2-deoxystreptamine antibiotic (LIGAND-CPD C03922 NIL kothari 3499048289 NIL NIL) NIL
4R-Limonene-1-2-epoxides a (4R)-limonene-1,2-epoxide ((CHEBI "35672" NIL |kothari| 3498923612 NIL NIL) (PUBCHEM "9480" NIL |caspi| 3419364104 NIL NIL)) ((PUBCHEM "9480" NIL |caspi| 3419364104 NIL NIL))
Limonene-1-2-epoxides a limonene-1,2-epoxide ((CAS "1195-92-2" NIL |kothari| 3498923467 NIL NIL) (CHEBI "16431" NIL |kothari| 3498923467 NIL NIL)) NIL
Limonene-1-2-diols a limonene-1,2-diol (LIGAND-CPD 17219 NIL kothari 3498923724 NIL NIL) NIL
Carveols a carveol ((CHEBI "23046" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "7438" NIL |caspi| 3419349741 NIL NIL)) ((PUBCHEM "7438" NIL |caspi| 3419349741 NIL NIL))
Dihydrocarveols a dihydrocarveol ((CHEBI "50215" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "12072" NIL |caspi| 3419337504 NIL NIL)) ((PUBCHEM "12072" NIL |caspi| 3419337504 NIL NIL))
Monoterpenyl-Diphosphates a monoterpenyl diphosphate (LIGAND-CPD C03517 NIL taltman 3466371734 NIL NIL) NIL
Monoterpenol-Acetate-Esters a monoterpenol acetate ester (LIGAND-CPD C03707 NIL taltman 3466371734 NIL NIL) NIL
Dihydrocarvones a dihydrocarvone ((CHEBI "23733" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "24473" NIL |caspi| 3419344589 NIL NIL)) ((PUBCHEM "24473" NIL |caspi| 3419344589 NIL NIL))
23-24-Dihydrocucurbitacins a 23,24-dihydrocucurbitacin (LIGAND-CPD C03578 NIL kothari 3499092110 NIL NIL) NIL
Cucurbitacins a cucurbitacin (LIGAND-CPD C01901 NIL kothari 3499010565 NIL NIL) NIL
Dihydroquercetins a dihydroquercetin ((CHEBI "328888" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "471" NIL |caspi| 3427142195 NIL NIL)) ((PUBCHEM "471" NIL |caspi| 3427142195 NIL NIL))
7-hydroxyisoflavones a 7-hydroxyisoflavone (LIGAND-CPD C15615 NIL kothari 3499011707 NIL NIL) NIL
Isoflavone-7-O-B-D-glucosides an isoflavone-7-O-β-D-glucoside (LIGAND-CPD C04074 NIL taltman 3466371734 NIL NIL) NIL
7-methoxyisoflavones a 7-methoxyisoflavone (LIGAND-CPD C15616 NIL taltman 3466371734 NIL NIL) NIL
Cyanidin-rutinoside-glucosides a cyanidin-3-O-rutinosie-5-O-β-D-glucoside (LIGAND-CPD C12646 NIL taltman 3466371734 NIL NIL) NIL
Anthocyanin-3-O-beta-D-glucosides an anthocyanin 3'-O-β-D glucoside (LIGAND-CPD C15550 NIL taltman 3466371734 NIL NIL) NIL
Flavonol-glucosyl-glucosides a flavonol 3-O β-D-glucosyl-(1->2)-β-D-glucoside (LIGAND-CPD C15581 NIL taltman 3466371734 NIL NIL) NIL
Flavonol-3-O-B-D-Glucosides a flavonol-3-O-β-D-glucoside ((LIGAND-CPD "C03946" NIL |kothari| 3494166633 NIL NIL) (CHEBI "16816" NIL |kothari| 3494166633 NIL NIL)) NIL
Flavonol-7-O-beta-D-glucosides a flavonol-7-O-β-D-glucosides (LIGAND-CPD C15580 NIL kothari 3499036196 NIL NIL) NIL
Flavonol-3-O-6-O-Malonyl-B-D-Glu a flavonol 3-O-(6-O-malonyl-β-D-glucoside) (LIGAND-CPD C04385 NIL taltman 3466371734 NIL NIL) NIL
Flavonol-3-B-D-Xylosyl-12-B-D-Glycoside a flavonol 3-[β-D-xylosyl-(1->2)-β-D-glycoside] (LIGAND-CPD C04069 NIL taltman 3466371734 NIL NIL) NIL
Flavonol-3-O-Glycosides a flavonol 3-O-glycoside (LIGAND-CPD C15555 NIL kothari 3498938623 NIL NIL) NIL
Anthocyanidin-malonyl-beta-D-glucosides an anthocyanidin-3-O-(6-O-malonyl-β-D-glucoside) (LIGAND-CPD C15540 NIL taltman 3466371734 NIL NIL) NIL
ANTHOCYANIDIN-3-O-D-GLUCOSIDE an anthocyanidin-3-O-D-glucoside (LIGAND-CPD C03940 NIL kothari 3499047270 NIL NIL) NIL
Anthocyanidin-3-O-beta-D-glucosides an anthocyanidin-3-O-β-D-glucoside (LIGAND-CPD C15539 NIL kothari 3499048483 NIL NIL) NIL
3-Hydroxy-Flavonoids a 3'-hydroxy-flavonoid (LIGAND-CPD C02790 NIL taltman 3466371734 NIL NIL) NIL
3-Hydroxy-Flavanones a 3' hydroxy flavanone ((PUBCHEM "17396201" NIL |kothari| 3431453035 NIL NIL) (LIGAND-CPD "
C15204" NIL |kothari| 3431453035 NIL NIL)) ((PUBCHEM "17396201" NIL |kothari| 3431453035 NIL NIL) (LIGAND-CPD "
C15204" NIL |kothari| 3431453035 NIL NIL))
Flavonone-rhamnosyl-glucosides a flavanone 7-O-(β-L-rhamnosyl-(1,2)-β-D-glucoside (LIGAND-CPD C15579 NIL taltman 3466371734 NIL NIL) NIL
FLAVANONE-7-O-GLUCOSIDES a flavanone-7-O-β-D-glucoside (LIGAND-CPD C04007 NIL taltman 3466371734 NIL NIL) NIL
Dihydroflavonols a dihydroflavonol ((LIGAND-CPD "C15570" NIL |kothari| 3498874693 NIL NIL) (CHEBI "48039" NIL |kothari| 3498874693 NIL NIL)) NIL
Anthocyanins an anthocyanin ((CAS "11029-12-2" NIL |kothari| 3499036128 NIL NIL) (LIGAND-CPD "C15549" NIL |kothari| 3499036128 NIL NIL)) NIL
Flavones a flavone ((LIGAND-CPD "C10043" NIL |kothari| 3505523066 NIL NIL) (CHEBI "42491" NIL |kothari| 3505523066 NIL NIL)) NIL
Anthocyanidins an anthocyanidin ((CHEBI "38695" NIL |kothari| 3498874377 NIL NIL) (LIGAND-CPD "C02003" NIL |kothari| 3498874377 NIL NIL)) NIL
Chalcones a chalcone ((CHEBI "23086" NIL |kothari| 3498919535 NIL NIL) (LIGAND-CPD "C15589" NIL |kothari| 3498919535 NIL NIL)) NIL
Flavan-3-ols a flavan-3-ol (LIGAND-CPD C15598 NIL kothari 3499092253 NIL NIL) NIL
Siderophore a siderophore ((|Wikipedia| "Siderophore" NIL |caspi| 3473525826 NIL NIL) (CHEBI "26672" NIL |caspi| 3469912047 NIL NIL)) NIL
N-Acetyl-2-Arylethylamines an N-acetyl-2-arylethylamine (LIGAND-CPD C15535 NIL taltman 3466371734 NIL NIL) NIL
2-Arylethylamines a 2-arylethylamine (LIGAND-CPD C15534 NIL kothari 3499011756 NIL NIL) NIL
N-Acetylarylalkylamines an N-acetylarylalkylamine (LIGAND-CPD C02998 NIL taltman 3466371734 NIL NIL) NIL
N-Hydroxy-Arylamines an N-hydroxy-arylamine (LIGAND-CPD C16685 NIL taltman 3466371734 NIL NIL) NIL
Arylalkylamines an arylalkylamine ((LIGAND-CPD "C01890" NIL |kothari| 3498923329 NIL NIL) (CHEBI "18000" NIL |kothari| 3498923329 NIL NIL)) NIL
Aromatic-Primary-Alcohols an aromatic primary alcohol (LIGAND-CPD C03485 NIL taltman 3466371734 NIL NIL) NIL
Aryl-Sulfate an aromatic sulfate (LIGAND-CPD C00850 NIL taltman 3466371734 NIL NIL) NIL
Aryl-Dialkyl-Phosphate an aryl dialkyl phosphate (LIGAND-CPD C03254 NIL taltman 3466371734 NIL NIL) NIL
N-Acetoxy-Arylamines an N-acetoxyarylamine (LIGAND-CPD C16684 NIL taltman 3466371734 NIL NIL) NIL
Reduced-Quinones a quinol ((KNAPSACK "C00002656" NIL |kothari| 3496760165 NIL NIL) (LIGAND-CPD "C15603" NIL |kothari| 3496760165 NIL NIL)) NIL
Aryl-Alcohol a phenol ((CHEBI "33853" NIL |kothari| 3494167203 NIL NIL) (KNAPSACK "C00002664" NIL |kothari| 3494167203 NIL NIL) (LIGAND-CPD "C15584" NIL |kothari| 3494167203 NIL NIL)) NIL
Benzenediols a benzenediol ((LIGAND-CPD "C01785" NIL |kothari| 3499008975 NIL NIL) (CHEBI "17701" NIL |caspi| 3490109476 NIL NIL)) ((CHEBI "17701" NIL |caspi| 3490109476 NIL NIL))
Hydroxyanthraquinones a hydroxyanthraquinone (CHEBI 37483 NIL kothari 3499045538 NIL NIL) NIL
Quinones a quinone ((CHEBI "36141" NIL |kothari| 3499012761 NIL NIL) (LIGAND-CPD "C15602" NIL |kothari| 3499012761 NIL NIL)) NIL
Long-Chain-Aldehydes a long-chain aldehyde (LIGAND-CPD C00609 NIL kothari 3499014037 NIL NIL) NIL
Lactaldehydes DL-lactaldehyde (LIGAND-CPD C05999 NIL taltman 3459474374 NIL NIL) NIL
KETONE a methyl-ethyl-ketone (LIGAND-CPD C00709 NIL taltman 3466371734 NIL NIL) NIL
CPD-8945 N-acetyl-β-D-galactosaminyl-(1->4)-N-acetyl-β-D-glucosaminyl-[glycoprotein] ((CHEBI "323981" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "656440" NIL |taltman| 3497976212 NIL NIL)) NIL
Menaquinols a menaquinol ((CHEBI "60024" NIL |kothari| 3499009374 NIL NIL) (LIGAND-CPD "C05819" NIL |kothari| 3499009374 NIL NIL)) NIL
PLASTOQUINONE a plastoquinone NIL ((KNAPSACK "C00002851" NIL |achi1| 3445698172 NIL NIL) (CAS "112055-76-2"))
Sulfurated-Sulfur-Acceptors a sulfurated sulfur donor NIL ((NCI "403664") (CAS "7704-34-9"))
5-Methylcytosine-DNA a DNA 5-methylcytosine (LIGAND-CPD C02967 NIL kothari 3499048965 NIL NIL) NIL
DNA-Cytosines a DNA cytosine (LIGAND-CPD C00856 NIL taltman 3466371734 NIL NIL) NIL
DNA-Adenines a DNA adenine (LIGAND-CPD C00821 NIL kothari 3498873894 NIL NIL) NIL
DNA-Guanines DNA (without 6-O-methylguanine) (LIGAND-CPD C11475 NIL kothari 3499091217 NIL NIL) NIL
DNA-6-O-Methyl-Guanines a DNA containing 6-O-methylguanine (LIGAND-CPD C04250 NIL kothari 3499091110 NIL NIL) NIL
DNA-6-Methyl-Amino-Purines a DNA 6-methylaminopurine (LIGAND-CPD C03391 NIL kothari 3499090836 NIL NIL) NIL
DNA-46-Diamino-5-Formamidopyrimidine DNA-4,6-diamino-5-formamidopyrimidine (LIGAND-CPD C04381 NIL kothari 3498919910 NIL NIL) NIL
DNA-N DNAn ((CHEBI "16991" NIL |kothari| 3498845451 NIL NIL) (LIGAND-CPD "C00039" NIL |kothari| 3498845416 NIL NIL)) NIL
CPD-9998 phosphinothricin ((CHEBI "58882" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244585" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05042" NIL |taltman| 3453060419 NIL NIL)) ((LIGAND-CPD "C05042" NIL |taltman| 3453060419 NIL NIL) (PUBCHEM "25244585" NIL |taltman| 3466375284 NIL NIL) (CHEBI "58882" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "4794" NIL |fulcher| 3418675351 NIL NIL))
A-LIPID-HYDROPEROXIDE a lipid hydroperoxide (LIGAND-CPD C01025 NIL taltman 3459474374 NIL NIL) NIL
Bacteriochlorins a bacteriochlorin NIL (PUBCHEM 9548778 NIL caspi 3393856711 NIL NIL)
Corrins a corrin NIL (PUBCHEM 6438343 NIL caspi 3392395986 NIL NIL)
RHg an alkylmercury (LIGAND-CPD C01343 NIL taltman 3466371734 NIL NIL) NIL
Alkanes an alkane ((LIGAND-CPD "C01371" NIL |kothari| 3498919808 NIL NIL) (CHEBI "18310" NIL |dreher| 3427579103 NIL NIL)) ((CHEBI "18310" NIL |dreher| 3427579103 NIL NIL))
Aromatic-Oxoacids an aromatic oxo-acid (LIGAND-CPD C00972 NIL taltman 3466371734 NIL NIL) NIL
Omega-carboxyacyl-CoAs an ω-carboxyacyl-CoA (LIGAND-CPD C03188 NIL taltman 3466371734 NIL NIL) NIL
S-2-Hydroxyacids1 an (S)-2-hydroxyacid (LIGAND-CPD C02613 NIL taltman 3459474374 NIL NIL) NIL
R-2-Hydroxyacids an (R)-2-hydroxyacid ((CHEBI "17893" NIL |kothari| 3498844945 NIL NIL) (LIGAND-CPD "C02489" NIL |kothari| 3498844896 NIL NIL)) NIL
R-2-Haloacids an (R)-2-haloacid (LIGAND-CPD C15564 NIL taltman 3466371734 NIL NIL) NIL
Phospholipid-Olefinic-Fatty-Acids a phospholipid olefinic fatty acid (LIGAND-CPD C01229 NIL taltman 3459474374 NIL NIL) NIL
Phospholipid-Cyclopropane-Fatty-Acids a phospholipid cyclopropane fatty acid (LIGAND-CPD C04340 NIL taltman 3459474374 NIL NIL) NIL
2R-HYDROXY-FATTY-ACIDS a 2(R)-hydroxy fatty acid (LIGAND-CPD C05102 NIL taltman 3466371734 NIL NIL) NIL
2R-hydroxy-carboxylates a (2R)-hydroxy-carboxylate (LIGAND-CPD C15487 NIL taltman 3466371734 NIL NIL) NIL
Lactate lactate (CHEBI 24996 NIL caspi 3461689759 NIL NIL) NIL
2-Hydroxy-carboxylates a 2-hydroxy carboxylate (LIGAND-CPD C02929 NIL taltman 3466371734 NIL NIL) NIL
D-fructofuranuronate D-fructofuranuronate ((CHEBI "59863" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245784" NIL |caspi| 3489351354 NIL NIL)) ((LIGAND-CPD "C00905" NIL |caspi| 3489351354 NIL NIL) (PUBCHEM "25245784" NIL |caspi| 3489351354 NIL NIL) (CHEBI "4126" NIL |caspi| 3489351287 NIL NIL))
D-GALACTURONATE D-galacturonate ((CHEBI "18024" NIL |caspi| 3501875704 NIL NIL) (PUBCHEM "46173511" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00333" NIL |hopkinso| 3311968592 NIL NIL) (CAS "685-73-4" NIL |hopkinso| 3311968592 NIL NIL)) ((PUBCHEM "445929" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00333" NIL |hopkinso| 3311968592 NIL NIL) (CAS "685-73-4" NIL |hopkinso| 3311968592 NIL NIL))
2-Oxo-carboxylates a 2-oxo carboxylate (CHEBI 35910 NIL kothari 3499008369 NIL NIL) NIL
FRUCTURONATE D-fructuronate ((PUBCHEM "439343" NIL |kothari| 3505502243 NIL NIL) (CHEBI "4126" NIL |kothari| 3499018666 NIL NIL) (LIGAND-CPD "C00905" NIL |kothari| 3499018643 NIL NIL)) NIL
Long-Chain-Carboxylates a long chain carboxylate (LIGAND-CPD C00347 NIL kothari 3494172604 NIL NIL) NIL
GLUCURONATE D-glucuronate ((CHEBI "58720" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "16740916" NIL |taltman| 3466375285 NIL NIL) (CAS "6556-12-3" NIL |jdale| 3456081972 NIL NIL) (LIGAND-CPD "C00191" NIL |kr| 3346617700 NIL NIL)) ((CAS "6556-12-3" NIL |jdale| 3456081972 NIL NIL) (PUBCHEM "16740916" NIL |taltman| 3466375285 NIL NIL) (CHEBI "47952" NIL |fulcher| 3479654271 NIL NIL) (CAS "12/03/6556" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00191" NIL |kr| 3346617700 NIL NIL) (CAS "576-37-4"))
Carboxylates a carboxylate ((CHEBI "29067" NIL |kothari| 3505495807 NIL NIL)) ((CHEBI "29067" NIL |kothari| 3505495807 NIL NIL) (LIGAND-CPD "C00060" NIL |kothari| 3458488979 NIL NIL))
RS-3-Sulfolactate (RS)-3-sulfolactate ((CHEBI "58683" NIL |taltman| 3498180761 NIL NIL) (LIGAND-CPD "C16069" NIL |taltman| 3459474373 NIL NIL) (PUBCHEM "25203561" NIL |taltman| 3448034169 NIL NIL)) ((LIGAND-CPD "C16069" NIL |taltman| 3459474373 NIL NIL) (PUBCHEM "25203561" NIL |taltman| 3448034169 NIL NIL))
Thio-Ethers a thioether (LIGAND-CPD C00297 NIL taltman 3459474374 NIL NIL) NIL
Protein-Dithiols a protein dithiol (LIGAND-CPD C02315 NIL taltman 3466371734 NIL NIL) NIL
Protein-Disulfides a protein disulfide ((CHEBI "16249" NIL |kothari| 3499013982 NIL NIL) (LIGAND-CPD "C02582" NIL |kothari| 3499013982 NIL NIL)) NIL
Alkyl-Thiols an alkyl-thiol (LIGAND-CPD C00812 NIL taltman 3466371734 NIL NIL) NIL
2-hydroxyacyl-glutathiones S-(2-hydroxyacyl)glutathione (LIGAND-CPD C03899 NIL taltman 3466371734 NIL NIL) NIL
N6-O-disulfo-D-glucosamine N,6-O-disulfo-D-glucosamine ((PUBCHEM "25245092" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03789" NIL |kr| 3410284649 NIL NIL)) ((PUBCHEM "25203517" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03789" NIL |kr| 3410284649 NIL NIL))
Sulfamates a sulfamate ((LIGAND-CPD "C01614" NIL |kothari| 3498930768 NIL NIL) (CAS "5329-14-6" NIL |kothari| 3498930768 NIL NIL) (CHEBI "9330" NIL |kothari| 3498930768 NIL NIL)) NIL
Aryl-sulfates an aryl sulfate (CHEBI 37919 NIL kothari 3498930911 NIL NIL) NIL
CPD-166 a dolichyl β-D-glucosyl phosphate ((PUBCHEM "25244070" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01246" NIL |taltman| 3459474374 NIL NIL)) NIL
CDP-2-3-4-Saturated-Diacylglycerols a CDP-2,3,4-saturated-diacylglycerol (CHEBI 17962 NIL kothari 3499021175 NIL NIL) NIL
DOLICHOL a dolichol ((|Wikipedia| "Dolichol" NIL |caspi| 3491674370 NIL NIL) (CHEBI "16091" NIL |caspi| 3491668299 NIL NIL) (PUBCHEM "25245314" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00381" NIL |taltman| 3459474374 NIL NIL)) NIL
CPD-5170 a (glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol (PUBCHEM 25245878 NIL taltman 3466375284 NIL NIL) NIL
Galactosyl-fucosyl-galactosyl-R a galactosyl-(1->3)-[α-L-fucosyl(1->2)]-D-galactosyl-R (LIGAND-CPD C04866 NIL taltman 3459474374 NIL NIL) NIL
PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE a procollagen 5-(galactosyloxy)-L-lysine (LIGAND-CPD C04487 NIL kothari 3498940043 NIL NIL) NIL
CPD-598 a (-)-ureidoglycine NIL (LIGAND-CPD C02091 NIL kr 3410284649 NIL NIL)
Phenyl-Acetates a phenyl acetate (LIGAND-CPD C15583 NIL kothari 3498930069 NIL NIL) NIL
GALACTOSYL-BETA-GALACTOSAMINYL-R β-D-galactosyl-1,3-(N-acetyl-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl-R ((CHEBI "15876" NIL |kothari| 3498958885 NIL NIL) (LIGAND-CPD "C04902" NIL |sreddy| 3299007182 NIL NIL)) ((LIGAND-CPD "C04902" NIL |sreddy| 3299007182 NIL NIL) (CHEBI "15876" NIL |kothari| 3476129406 NIL NIL) (CHEBI "17723" NIL |kothari| 3476129341 NIL NIL))
Secondary-Alcohols a secondary alcohol (LIGAND-CPD C00432 NIL taltman 3466371734 NIL NIL) NIL
Dihydrofurano-Derivatives a dihydrofurano derivative (LIGAND-CPD C07291 NIL taltman 3466371734 NIL NIL) NIL
2-HYDROXYGLUTARIC_ACID 2-hydroxyglutarate ((CHEBI "11596" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "4609868" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C02630" NIL |kothari| 3454248189 NIL NIL) (CAS "2889-31-8")) ((PUBCHEM "4609868" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C02630" NIL |kothari| 3454248189 NIL NIL) (CHEBI "17084" NIL |kothari| 3454248189 NIL NIL) (CAS "2889-31-8"))
S-2-Haloacids an (S)-2-haloacid (LIGAND-CPD C02103 NIL kothari 3498844756 NIL NIL) NIL
All-Amines an amine ((LIGAND-CPD "C00706" NIL |kothari| 3499017897 NIL NIL) (CHEBI "32952" NIL |kothari| 3499017897 NIL NIL)) NIL
a-long-chain-alcohol a long-chain alcohol (LIGAND-CPD C00339 NIL kothari 3494170116 NIL NIL) NIL
BETA-D-GALACTOSYL-R a β-D-galactosyl-R (LIGAND-CPD C02900 NIL taltman 3466371734 NIL NIL) NIL
CPD-5169 a glucosyl-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol (PUBCHEM 25245402 NIL taltman 3466375284 NIL NIL) NIL
MALTOOLIGOSYLTREHALOSE a maltooligosyl-trehalose (LIGAND-CPD
C06400 NIL kothari 3493155272 NIL NIL) NIL
MANNOSYL-ETCETERA-MANNOSYL-R α-D-mannosyl-1,6-(N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,3)-β-D-mannosyl-[glycoprotein] (LIGAND-CPD C04914 NIL taltman 3466371734 NIL NIL) NIL
CPD-160 a phosphatidyl-N-dimethylethanolamine (LIGAND-CPD C04308 NIL taltman 3466371734 NIL NIL) NIL
ALPHA-D-MANNOSYLCHITOBIO a mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol ((LIGAND-CPD "C05860" NIL |kothari| 3496152735 NIL NIL) (PUBCHEM "25244511" NIL |taltman| 3466375284 NIL NIL)) NIL
CPD-5168 a (mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol (PUBCHEM 25246106 NIL taltman 3466375283 NIL NIL) NIL
OLIGOSACCHARIDE-DIPHOSPHODOLICHOL an oligosaccharide-diphosphodolichol ((PUBCHEM "25245889" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04213" NIL |sreddy| 3298400267 NIL NIL)) ((LIGAND-CPD "C04213" NIL |sreddy| 3298400267 NIL NIL))
14-ALPHA-D-GALACTURONIDE 1,4-α-D-galacturonide ((LIGAND-CPD "C00470" NIL |kothari| 3496156258 NIL NIL) (CHEBI "15446" NIL |kothari| 3496156258 NIL NIL)) ((LIGAND-CPD "C03816" NIL |qwan| 3371491672 NIL NIL))
DI-N-ACETYL-BETA-D-GLUCOSAMINYL N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,3-(N-acetyl-β-D-glucosaminyl-1,2-α-D-mannosyl-1,6)-β-D-mannosyl-1,4-N-acetyl-β-D-glucosaminyl-R NIL (LIGAND-CPD C04942 NIL sreddy 3299271320 NIL NIL)
CPD-5167 a (mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol (PUBCHEM 25243911 NIL taltman 3466375284 NIL NIL) NIL
N-ACETYL-BETA-D-GLUCOSAMINYL-ETCETERA-MA 2,4,6-tris(N-acetyl-β-D-glucosaminyl)-α-D-mannosyl-[glycoprotein] ((CHEBI "32602" NIL |kothari| 3499045075 NIL NIL) (LIGAND-CPD "C04934" NIL |kothari| 3499045075 NIL NIL)) NIL
Haloacetates a haloacetate (LIGAND-CPD C01812 NIL taltman 3466371734 NIL NIL) NIL
b-D-mannosyl-R β-D-mannosyl-[glycoprotein] ((LIGAND-CPD "C04942" NIL |kothari| 3499046943 NIL NIL) (CHEBI "12384" NIL |kothari| 3499046943 NIL NIL)) NIL
DL-Phospholactate phospholactate ((CHEBI "340863" NIL |kothari| 3492882075 NIL NIL) (PUBCHEM "446060" NIL |kothari| 3492882075 NIL NIL)) ((PUBCHEM "446060" NIL |kothari| 3492882075 NIL NIL) (CHEBI "340863" NIL |kothari| 3492882075 NIL NIL) (PUBCHEM "25200770" NIL |caspi| 3461678970 NIL NIL))
epoxides an epoxide ((CHEBI "32955" NIL |kothari| 3498923789 NIL NIL) (LIGAND-CPD "C00722" NIL |kothari| 3498923789 NIL NIL)) NIL
Alkyl-Sulfenates an S-alkylsulfenate (LIGAND-CPD C02245 NIL taltman 3466371734 NIL NIL) NIL
CPD-5166 a (mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol (PUBCHEM 25244023 NIL taltman 3466375284 NIL NIL) NIL
CPD-5165 a (mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol (PUBCHEM 25244551 NIL taltman 3466375284 NIL NIL) NIL
CPD-12179 methylmalonate semialdehyde ((LIGAND-CPD "C00349" NIL |kothari| 3499092365 NIL NIL) (CHEBI "16256" NIL |kothari| 3499092365 NIL NIL)) NIL
S-Alkyl-L-Cysteine-S-Oxides an S-alkyl-L-cysteine S-oxide (LIGAND-CPD C03726 NIL taltman 3466371734 NIL NIL) NIL
CPD-171 a dolichyl β-D-mannosyl phosphate ((PUBCHEM "25245534" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03862" NIL |taltman| 3459474374 NIL NIL) (CAS "55598-56-6" NIL |hopkinso| 3307800101 NIL NIL)) ((PUBCHEM "41482" NIL |hopkinso| 3317064129 NIL NIL) (CAS "55598-56-6" NIL |hopkinso| 3307800101 NIL NIL))
NN-DIACETYLCHITOBIOSYLDIPHOSPHODOLICHO an (N-acetylglucosaminyl)2-diphosphodolichol ((CHEBI "12427" NIL |kothari| 3494262089 NIL NIL) (LIGAND-CPD "C04537" NIL |kothari| 3494262089 NIL NIL) (PUBCHEM "25246123" NIL |taltman| 3466375284 NIL NIL)) NIL
CPD-5164 a (mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol (PUBCHEM 25245884 NIL taltman 3466375284 NIL NIL) NIL
NAc-glucosaminyl-b-D-mannosyl-R 4-(N-acetyl-β-D-glucosaminyl)-β-D-mannosyl-[glycoprotein] ((LIGAND-CPD "C15544" NIL |kothari| 3499047017 NIL NIL) (CHEBI "11936" NIL |kothari| 3499047017 NIL NIL)) NIL
Glycerophosphodiesters a glycerophosphodiester (LIGAND-CPD C03120 NIL taltman 3459474374 NIL NIL) NIL
DICARBOXYLIC-ACID-MONOAMIDES a monoamide of a dicarboxylate ((LIGAND-CPD "C04131" NIL |sreddy| 3298412263 NIL NIL)) ((PUBCHEM "19813251" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C04131" NIL |sreddy| 3298412263 NIL NIL))
1-Haloalkanes a 1-haloalkane (LIGAND-CPD C01872 NIL taltman 3466371734 NIL NIL) NIL
CPD-190 an N-acetylglucosaminyl-diphosphodolichol ((CHEBI "18278" NIL |kothari| 3494263331 NIL NIL) (LIGAND-CPD "C04500" NIL |kothari| 3494263331 NIL NIL) (PUBCHEM "25245072" NIL |taltman| 3466375285 NIL NIL)) NIL
CPD-5163 a (mannosyl)4-(N-acetylglucosaminyl)2-diphosphodolichol (PUBCHEM 25245828 NIL taltman 3466375284 NIL NIL) NIL
Acyl-Phosphates an acyl phosphate (LIGAND-CPD C02133 NIL taltman 3459474374 NIL NIL) NIL
CPD-405 a phosphatidyl-N-methylethanolamine (LIGAND-CPD C01241 NIL taltman 3459474374 NIL NIL) NIL
5-L-GLUTAMYL-L-AMINO-ACID a 5-L-glutamyl-L-amino acid (LIGAND-CPD C03740 NIL taltman 3466371734 NIL NIL) NIL
DOLICHOLP a dolichyl phosphate ((PUBCHEM "25244948" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16214" NIL |kothari| 3458491069 NIL NIL) (LIGAND-CPD "C00110" NIL |kothari| 3458491069 NIL NIL)) NIL
CPD-8549 a D-threo-aldono-1,5-lactone (LIGAND-CPD C16581 NIL kothari 3476128404 NIL NIL) (LIGAND-CPD C00198 NIL qwan 3371395117 NIL NIL)
CPD0-1027 a debranched limit dextrin (LIGAND-CPD C02049 NIL taltman 3466371734 NIL NIL) NIL
D-Aldonolactones a D-aldonolactone (LIGAND-CPD C16830 NIL kothari 3499004215 NIL NIL) NIL
MANDELONITRILE mandelonitrile ((PUBCHEM "10758" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16910" NIL |taltman| 3452363468 NIL NIL) (LIGAND-CPD "C00561" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C00561" NIL |kr| 3410284649 NIL NIL))
CPD-5162 a (mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol (PUBCHEM 25246070 NIL taltman 3466375283 NIL NIL) NIL
Pyrimidodiazepines a pyrimidodiazepine (LIGAND-CPD C02587 NIL kothari 3499091511 NIL NIL) NIL
CPD-8575 a 4-hydroxyacid ((CHEBI "30830" NIL |taltman| 3498180761 NIL NIL) (LIGAND-CPD "C01991" NIL |kothari| 3466534648 NIL NIL) (PUBCHEM "10413" NIL |taltman| 3466375284 NIL NIL)) ((LIGAND-CPD "C01991" NIL |kothari| 3466534648 NIL NIL) (PUBCHEM "10413" NIL |taltman| 3466375284 NIL NIL))
12-EPOXYPROPANE a 1,2-epoxypropane (LIGAND-CPD C15508 NIL taltman 3459474374 NIL NIL) NIL
CPD-5161 a (mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol (PUBCHEM 25243903 NIL taltman 3466375284 NIL NIL) NIL
S-Substituted-Glutathione a glutathione-toxin conjugate (LIGAND-CPD C02320 NIL kothari 3498933170 NIL NIL) NIL
Gamma-Glutamylated-Glutamyl-acceptors a γ-glutamylated glutamyl acceptor (LIGAND-CPD C03649 NIL kothari 3499047476 NIL NIL) NIL
3-HYDROXY-ISOBUTYRATE 3-hydroxy-isobutyrate ((PUBCHEM "11966314" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "11966314" NIL |taltman| 3466375285 NIL NIL) (CHEBI "11805" NIL |taltman| 3452363195 NIL NIL) (LIGAND-CPD "C01188" NIL |kr| 3410284650 NIL NIL) (CAS "2068-83-9")) ((LIGAND-CPD "C01188" NIL |kr| 3410284650 NIL NIL) (CAS "2068-83-9"))
Acylcholines an acylcholine (LIGAND-CPD C01777 NIL taltman 3459474374 NIL NIL) NIL
DIACYLGLYCEROL-PYROPHOSPHATE a 1,2-diacyl-sn-glycerol 3-diphosphate ((CHEBI "29089" NIL |kothari| 3505501680 NIL NIL) (PUBCHEM "25202796" NIL |taltman| 3448034169 NIL NIL)) NIL
Heparan-sulfate-D-glucosaminides α-D-glucosaminide-[heparan sulfate] ((LIGAND-CPD "C04384" NIL |kothari| 3499048342 NIL NIL) (CHEBI "18137" NIL |caspi| 3489425112 NIL NIL)) ((CHEBI "18137" NIL |caspi| 3489425112 NIL NIL))
BACCATIN-III baccatin III ((PUBCHEM "65366" NIL |taltman| 3466375284 NIL NIL) (CHEBI "32898" NIL |taltman| 3452363221 NIL NIL) (LIGAND-CPD "C11900" NIL |kr| 3410284649 NIL NIL)) ((PUBCHEM "65366" NIL |hopkinso| 3317144400 NIL NIL))
10-DEACETYLBACCATIN-III 10-deacetylbaccatin III ((PUBCHEM "154272" NIL |taltman| 3466375284 NIL NIL) (CHEBI "18193" NIL |taltman| 3452363149 NIL NIL) (LIGAND-CPD "C11700" NIL |kr| 3410284649 NIL NIL)) ((PUBCHEM "154272" NIL |hopkinso| 3324402843 NIL NIL))
AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE 5-amino-6-(D-ribitylamino)uracil ((PUBCHEM "14056325" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04732" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C04732" NIL |kr| 3346617700 NIL NIL))
N-5-PHOSPHORIBOSYL-ANTHRANILATE N-(5'-phosphoribosyl)-anthranilate ((PUBCHEM "25245690" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04302" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C04302" NIL |kr| 3346617700 NIL NIL))
DIMETHYL-D-RIBITYL-LUMAZINE 6,7-dimethyl-8-(1-D-ribityl)lumazine ((PUBCHEM "25244683" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04332" NIL |kr| 3346617698 NIL NIL)) ((LIGAND-CPD "C04332" NIL |kr| 3346617698 NIL NIL))
CPD-1825 β-L-arabinose 1-phosphate ((CHEBI "57521" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244737" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03906" NIL |taltman| 3459474373 NIL NIL)) NIL
SUCC-S-ALD succinate semialdehyde ((CHEBI "57706" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "9543238" NIL |taltman| 3466375285 NIL NIL) (CAS "692-29-5" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00232" NIL |kr| 3346617700 NIL NIL)) ((PUBCHEM "9543238" NIL |taltman| 3466375285 NIL NIL) (CHEBI "57706" NIL |taltman| 3498180761 NIL NIL) (CHEBI "16265") (PUBCHEM "1112") (LIGAND-CPD "C00232") (CAS "692-29-5" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00232" NIL |kr| 3346617700 NIL NIL))
4-FUMARYL-ACETOACETATE 4-fumaryl-acetoacetate ((PUBCHEM "5459934" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01061" NIL |kothari| 3452955819 NIL NIL) (CHEBI "18034" NIL |taltman| 3452363602 NIL NIL)) NIL
CPD-1777 coniferin ((PUBCHEM "5280372" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16220" NIL |taltman| 3452363515 NIL NIL) (LIGAND-CPD "C00761" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C00761" NIL |kr| 3410284650 NIL NIL))
DIHYDROXYNAPHTHOATE 1,4-dihydroxy-2-naphthoate ((CHEBI "11173" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "6951699" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03657" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C03657" NIL |kr| 3346617701 NIL NIL))
TAXA-42011-DIEN-5-ALPHA-YL-ACETATE taxa-4(20),11-dien-5-α-yl acetate ((PUBCHEM "443486" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11896" NIL |kr| 3410284649 NIL NIL)) NIL
CPD-63 syringin ((PUBCHEM "12443176" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01533" NIL |taltman| 3459474373 NIL NIL)) NIL
SINAPYL-ALCOHOL sinapyl-alcohol ((PUBCHEM "5280507" NIL |taltman| 3466375284 NIL NIL) (CHEBI "28813" NIL |taltman| 3452363151 NIL NIL) (LIGAND-CPD "C02325" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C02325" NIL |kr| 3410284649 NIL NIL))
CPD-763 arsenite ((CHEBI "29242" NIL |caspi| 3503947247 NIL NIL) (PUBCHEM "545" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C06697" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C06697" NIL |kr| 3346617699 NIL NIL))
L-DEHYDRO-ASCORBATE L-dehydro-ascorbate ((CHEBI "58539" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44123501" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05422" NIL |taltman| 3452530403 NIL NIL)) ((CHEBI "58539" NIL |taltman| 3498180761 NIL NIL) (CHEBI "27956" NIL |taltman| 3452363122 NIL NIL) (LIGAND-CPD "C05422" NIL |taltman| 3452530403 NIL NIL) (PUBCHEM "44123501" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "440667" NIL |caspi| 3441126925 NIL NIL) (LIGAND-CPD "C00425" NIL |kr| 3410284650 NIL NIL))
CPD-12200 3-(4-hydroxyphenyl)-3-oxo-propionyl-CoA (PUBCHEM 46173252 NIL taltman 3497976212 NIL NIL) NIL
S-LACTOYL-GLUTATHIONE S-lactoyl-glutathione ((PUBCHEM "25244530" NIL |taltman| 3466375285 NIL NIL) (CAS "59-85-8" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C03451" NIL |kr| 3346617701 NIL NIL) (CAS "25138-66-3")) ((CAS "59-85-8" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C03451" NIL |kr| 3346617701 NIL NIL) (CAS "25138-66-3"))
TYRAMINE tyramine ((CHEBI "327995" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5249538" NIL |taltman| 3466375284 NIL NIL) (CAS "51-67-2" NIL |keseler| 3342280288 NIL NIL) (LIGAND-CPD "C00483" NIL |keseler| 3342280265 NIL NIL)) ((PUBCHEM "5249538" NIL |taltman| 3466375284 NIL NIL) (CHEBI "327995" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5249538" NIL |taltman| 3448034169 NIL NIL) (CAS "51-67-2" NIL |keseler| 3342280288 NIL NIL) (LIGAND-CPD "C00483" NIL |keseler| 3342280265 NIL NIL) (PUBCHEM "5610" NIL |keseler| 3342280265 NIL NIL))
CPD-10520 3,7,3'-tri-methylquercetagetin ((CHEBI "584570" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "189065" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C10031" NIL |taltman| 3452530174 NIL NIL)) ((PUBCHEM "189065" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C10031" NIL |taltman| 3452530174 NIL NIL))
N-ACETYL-GLUTAMYL-P N-acetylglutamyl-phosphate ((PUBCHEM "25244860" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04133" NIL |keseler| 3342465342 NIL NIL)) ((PUBCHEM "440236" NIL |keseler| 3342465342 NIL NIL) (LIGAND-CPD "C04133" NIL |keseler| 3342465342 NIL NIL))
CPD-469 N-acetyl-L-glutamate 5-semialdehyde ((PUBCHEM "6857435" NIL |taltman| 3466375284 NIL NIL) (CHEBI "29123" NIL |taltman| 3452363279 NIL NIL) (LIGAND-CPD "C01250" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C01250" NIL |kr| 3346617701 NIL NIL))
2-3-DIHYDRODIPICOLINATE L-2,3-dihydrodipicolinate ((CHEBI "30620" NIL |taltman| 3466400139 NIL NIL) (PUBCHEM "5460228" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03340" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C03340" NIL |kr| 3346617699 NIL NIL))
DELTA1-PIPERIDEINE-2-6-DICARBOXYLATE tetrahydrodipicolinate ((PUBCHEM "5460758" NIL |taltman| 3466375284 NIL NIL) (CHEBI "11408" NIL |taltman| 3452363358 NIL NIL) (CAS "52-52-8" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C03972" NIL |keseler| 3342457350 NIL NIL)) ((CAS "52-52-8" NIL |kr| 3346617700 NIL NIL) (PUBCHEM "440179" NIL |keseler| 3342457350 NIL NIL) (LIGAND-CPD "C03972" NIL |keseler| 3342457350 NIL NIL))
CPD-6992 (2R,3R)-pinobanksin ((PUBCHEM "25200970" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C09826" NIL |kr| 3410284649 NIL NIL)) NIL
ALLYSINE 2-aminoadipate-6-semialdehyde ((PUBCHEM "45479557" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C04076" NIL |taltman| 3466401522 NIL NIL) (CHEBI "17917" NIL |taltman| 3466400245 NIL NIL) (CAS "1962-83-0")) ((LIGAND-CPD "C01475" NIL |kr| 3410284649 NIL NIL) (CAS "1962-83-0"))
SACCHAROPINE L-saccharopine ((CHEBI "997-68-2" NIL |caspi| 3501964990 NIL NIL) (LIGAND-CPD "C00449" NIL |taltman| 3459474373 NIL NIL) (PUBCHEM "25244871" NIL |taltman| 3451921010 NIL NIL)) ((CAS "997-68-2"))
DIAMINONONANOATE 7,8-diaminopelargonate ((CHEBI "58500" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245451" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01037" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C01037" NIL |kr| 3346617700 NIL NIL))
S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE S-adenosyl-4-methylthio-2-oxobutanoate ((CHEBI "16490" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "5459852" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04425" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C04425" NIL |kr| 3346617699 NIL NIL))
8-AMINO-7-OXONONANOATE 7-keto-8-aminopelargonate ((CHEBI "57532" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244029" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01092" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C01092" NIL |kr| 3346617701 NIL NIL))
5-AMINO-LEVULINATE 5-amino-levulinate ((CHEBI "356416" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "7048523" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00430" NIL |keseler| 3342477067 NIL NIL) (CAS "106-60-5")) ((LIGAND-CPD "C00430" NIL |keseler| 3342477067 NIL NIL) (PUBCHEM "137" NIL |keseler| 3342477067 NIL NIL) (CAS "5451-09-2" NIL |hopkinso| 3312056921 NIL NIL) (CAS "106-60-5"))
GLUTAMATE-1-SEMIALDEHYDE glutamate-1-semialdehyde ((CHEBI "57501" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244684" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03741" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C03741" NIL |kr| 3346617699 NIL NIL))
DEAMIDO-NAD nicotinate adenine dinucleotide ((PUBCHEM "25246170" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00857" NIL |kr| 3346617700 NIL NIL) (CAS "6450-77-7")) ((LIGAND-CPD "C00857" NIL |kr| 3346617700 NIL NIL) (CAS "6450-77-7"))
16-EPIVELLOSIMINE 16-epivellosimine ((PUBCHEM "443320" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16425" NIL |kothari| 3455040067 NIL NIL) (LIGAND-CPD "C11633" NIL |kothari| 3455040067 NIL NIL)) NIL
POLYNEURIDINE-ALDEHYDE polyneuridine aldehyde ((PUBCHEM "25202404" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11632" NIL |taltman| 3459474374 NIL NIL)) NIL
L-GLUTAMATE-5-P L-glutamate-5-phosphate ((PUBCHEM "25246118" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03287" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C03287" NIL |kr| 3346617699 NIL NIL))
OXAMATE oxamate ((CHEBI "58363" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "3017661" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01444" NIL |kr| 3346617699 NIL NIL) (CAS "471-47-6")) ((LIGAND-CPD "C01444" NIL |kr| 3346617699 NIL NIL) (CAS "471-47-6"))
GLYCEROL-3P sn-glycerol-3-phosphate ((CHEBI "57597" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "7048686" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00093" NIL |kr| 3346617699 NIL NIL) (CAS "57-03-4")) ((PUBCHEM "7048685" NIL |taltman| 3451921010 NIL NIL) (CHEBI "15978" NIL |kothari| 3451928073 NIL NIL) (PUBCHEM "7048686" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00093" NIL |kr| 3346617699 NIL NIL) (CAS "57-03-4"))
10-BETA-HYDROXYTAXA-42011-DIEN-5-ALPH 10β-hydroxytaxa-4(20),11-dien-5α-yl acetate ((PUBCHEM "443488" NIL |taltman| 3466375284 NIL NIL) (CHEBI "50436" NIL |taltman| 3452362906 NIL NIL) (LIGAND-CPD "C11898" NIL |kr| 3410284649 NIL NIL)) NIL
PHYTOL phytol ((PUBCHEM "5280435" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17327" NIL |taltman| 3452363466 NIL NIL) (LIGAND-CPD "C01389" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C01389" NIL |kr| 3410284649 NIL NIL))
O-UREIDOHOMOSERINE O-ureidohomoserine (PUBCHEM 25245717 NIL taltman 3466375284 NIL NIL) NIL
L-CANALINE L-canaline ((PUBCHEM "25246035" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C08270" NIL |kr| 3410284649 NIL NIL) (CAS "496-93-5")) ((LIGAND-CPD "C08270" NIL |kr| 3410284649 NIL NIL) (CAS "496-93-5"))
CPD-69 cyanate ((PUBCHEM "105034" NIL |taltman| 3466375284 NIL NIL) (CHEBI "29195" NIL |taltman| 3452363562 NIL NIL) (LIGAND-CPD "C01417" NIL |kr| 3346617699 NIL NIL) (CAS "420-05-3")) ((LIGAND-CPD "C01417" NIL |kr| 3346617699 NIL NIL) (CAS "420-05-3"))
CARBAMATE carbamate ((PUBCHEM "276" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01563" NIL |taltman| 3466371734 NIL NIL) (CHEBI "13941" NIL |taltman| 3452363189 NIL NIL)) NIL
2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE 2-C-methyl-D-erythritol-2,4-cyclodiphosphate ((CHEBI "58483" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "21605869" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11453" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C11453" NIL |kr| 3346617700 NIL NIL))
CPD-603 3-cyano-L-alanine ((PUBCHEM "25203495" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C02512" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C02512" NIL |kr| 3410284649 NIL NIL))
CPD-4482 3-methyl-4-cis-hydroxy-2-butenal (PUBCHEM 12487266 NIL taltman 3466375284 NIL NIL) NIL
CPD-4207 isopentenyl adenosine ((CHEBI "554300" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "24405" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16427" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C16427" NIL |kr| 3410284649 NIL NIL))
PRENAL 3-methyl-2-butenal ((PUBCHEM "61020" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C07330" NIL |taltman| 3452530510 NIL NIL) (CHEBI "15825" NIL |taltman| 3452363450 NIL NIL)) ((LIGAND-CPD "C07330" NIL |sreddy| 3298751043 NIL NIL))
CPD-4483 3-methyl-4-trans-hydroxy-2-butenal (PUBCHEM 22841439 NIL taltman 3466375284 NIL NIL) NIL
CPD-4208 trans-zeatin riboside ((PUBCHEM "6440982" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16431" NIL |taltman| 3452529980 NIL NIL)) NIL
CPD-6954 p-coumaroyltriacetate (PUBCHEM 25245921 NIL taltman 3466375283 NIL NIL) NIL
2-DEHYDROPANTOATE 2-dehydropantoate ((PUBCHEM "16755619" NIL |taltman| 3466375284 NIL NIL) (CHEBI "11561" NIL |taltman| 3452363039 NIL NIL) (LIGAND-CPD "C00966" NIL |kr| 3346617701 NIL NIL)) ((KNAPSACK "C00007477" NIL |achi1| 3445698159 NIL NIL) (LIGAND-CPD "C00966" NIL |kr| 3346617701 NIL NIL))
CPD-6956 bis-noryangonin ((PUBCHEM "25245184" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C12085" NIL |kr| 3410284649 NIL NIL)) NIL
5-HYDROXY-CONIFERALDEHYDE 5-hydroxy-coniferaldehyde ((PUBCHEM "5282094" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C12204" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C12204" NIL |kr| 3410284649 NIL NIL))
DIHYDROPTERIN-CH2OH-PP 6-hydroxymethyl-dihydropterin diphosphate ((CHEBI "57602" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244074" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04807" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C04807" NIL |kr| 3410284649 NIL NIL))
CPD-1063 5-methylthioribulose-1-phosphate ((CHEBI "58548" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "23615271" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04582" NIL |keseler| 3342474045 NIL NIL)) ((LIGAND-CPD "C04582" NIL |keseler| 3342474045 NIL NIL) (PUBCHEM "329" NIL |keseler| 3342474045 NIL NIL))
3-DEHYDRO-SHIKIMATE 3-dehydroshikimate ((CHEBI "16630" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5460360" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C02637" NIL |kr| 3346617701 NIL NIL)) ((CAS "10457-99-5" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C02637" NIL |kr| 3346617701 NIL NIL) (CAS "2922-42-1"))
CPD-7965 gentiodelphin ((PUBCHEM "25244415" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C08641" NIL |taltman| 3466371734 NIL NIL)) NIL
CPD-4610 kinetin-7-N-glucoside (PUBCHEM 25202817 NIL taltman 3466375284 NIL NIL) NIL
CPD-4609 kinetin ((CHEBI "485066" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "3830" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C08272" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C08272" NIL |kr| 3410284649 NIL NIL))
CPD-4607 benzyladenine-7-N-glucoside (PUBCHEM 25201158 NIL taltman 3466375284 NIL NIL) NIL
CPD-4604 benzyladenine ((PUBCHEM "62389" NIL |taltman| 3466375284 NIL NIL) (CHEBI "29022" NIL |taltman| 3452362912 NIL NIL) (LIGAND-CPD "C11263" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C11263" NIL |kr| 3410284649 NIL NIL))
CPD-4602 isopentenyladenine-7-N-glucoside (PUBCHEM 25202675 NIL taltman 3466375284 NIL NIL) NIL
2K-ADIPATE 2-oxoadipate ((CHEBI "57499" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "23615192" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00322" NIL |kr| 3410284650 NIL NIL) (CAS "3184-35-8")) ((CAS "3184-35-8"))
CPD-4615 dihydrozeatin-7-N-glucose (PUBCHEM 25201421 NIL taltman 3466375284 NIL NIL) NIL
L-DELTA1-PYRROLINE_5-CARBOXYLATE (S)-1-pyrroline-5-carboxylate ((PUBCHEM "11966181" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17388" NIL |taltman| 3452363592 NIL NIL) (LIGAND-CPD "C03912" NIL |kr| 3346617700 NIL NIL) (CAS "2906-39-0")) ((LIGAND-CPD "C03912" NIL |kr| 3346617700 NIL NIL) (CAS "2906-39-0"))
BETAINE glycine betaine ((PUBCHEM "247" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17750" NIL |taltman| 3452363477 NIL NIL) (LIGAND-CPD "C00719" NIL |kr| 3346617699 NIL NIL) (CAS "107-43-7")) ((LIGAND-CPD "C00719" NIL |kr| 3346617699 NIL NIL) (CAS "107-43-7"))
CIT citrate ((PUBCHEM "31348" NIL |taltman| 3497976212 NIL NIL) (KNAPSACK "C00007619" NIL |achi1| 3445698160 NIL NIL) (CHEBI "16947" NIL |taltman| 3452363554 NIL NIL) (LIGAND-CPD "C00158" NIL |kr| 3346617699 NIL NIL) (CAS "77-92-9")) ((CHEBI "16947" NIL |taltman| 3452363554 NIL NIL) (KNAPSACK "C00007619" NIL |achi1| 3445698160 NIL NIL) (PUBCHEM "31348" NIL |taltman| 3497976212 NIL NIL) (PUBCHEM "311" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00158" NIL |kr| 3346617699 NIL NIL) (CAS "77-92-9"))
CPD-81 coniferaldehyde glucoside (PUBCHEM 25245998 NIL taltman 3466375283 NIL NIL) NIL
COUMARALDEHYDE coumaraldehyde ((CHEBI "278852" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "641301" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05608" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C05608" NIL |kr| 3410284650 NIL NIL))
CPD-79 sinapaldehyde glucoside (PUBCHEM 25244544 NIL taltman 3466375284 NIL NIL) NIL
P-COUMAROYL-COA 4-coumaroyl-CoA ((PUBCHEM "25244633" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00223" NIL |taltman| 3459474373 NIL NIL) (CHEBI "15499")) ((PUBCHEM "25244633" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "25244633" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00223" NIL |taltman| 3459474373 NIL NIL) (CHEBI "15499") (CHEBI "15346") (PUBCHEM "6816") (LIGAND-CPD "C00010"))
CPD-82 dihydroconiferyl alcohol glucoside (PUBCHEM 25244310 NIL taltman 3466375284 NIL NIL) NIL
CPD-8259 nicotinate riboside ((PUBCHEM "25203005" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05841" NIL |taltman| 3459474374 NIL NIL)) NIL
3-P-HYDROXYPYRUVATE 3-phospho-hydroxypyruvate ((PUBCHEM "5460375" NIL |taltman| 3466375284 NIL NIL) (CHEBI "18110" NIL |taltman| 3452363448 NIL NIL) (LIGAND-CPD "C03232" NIL |kr| 3346617699 NIL NIL) (CAS "3913-50-6")) ((LIGAND-CPD "C03232" NIL |kr| 3346617699 NIL NIL) (CAS "3913-50-6"))
5-HYDROXY-FERULIC-ACID 5-hydroxyferulate ((PUBCHEM "25245419" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05619" NIL |kr| 3410284649 NIL NIL)) NIL
SINAPOYL-COA sinapoyl-CoA ((CHEBI "57393" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44229225" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C00411" NIL |taltman| 3459474373 NIL NIL)) ((LIGAND-CPD "C00411" NIL |taltman| 3459474373 NIL NIL) (PUBCHEM "44229225" NIL |taltman| 3466375283 NIL NIL))
CPD-2961 6-phospho-D-gluconate ((CHEBI "48928" NIL |kothari| 3491156032 NIL NIL) (PUBCHEM "25243986" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00345" NIL |kr| 3346617699 NIL NIL)) ((KNAPKSACK "C00007481") (PUBCHEM "5459869" NIL |caspi| 3370791760 NIL NIL) (LIGAND-CPD "C00345" NIL |kr| 3346617699 NIL NIL))
D-6-P-GLUCONO-DELTA-LACTONE 6-phospho-D-glucono-1,5-lactone ((CHEBI "16938" NIL |kothari| 3491139107 NIL NIL) (PUBCHEM "25246175" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01236" NIL |kr| 3346617699 NIL NIL) (CAS "2641-81-8")) ((LIGAND-CPD "C01236" NIL |kr| 3346617699 NIL NIL) (CAS "2641-81-8"))
AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE 6-hydroxymethyl-7,8-dihydropterin ((CHEBI "17083" NIL |taltman| 3498180761 NIL NIL) (LIGAND-CPD "C01300" NIL |taltman| 3497979742 NIL NIL) (PUBCHEM "218" NIL |taltman| 3497976212 NIL NIL)) NIL
DIHYDRO-NEO-PTERIN 7,8-dihydro-D-neopterin ((PUBCHEM "65074" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17001" NIL |taltman| 3452363471 NIL NIL) (LIGAND-CPD "C04874" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C04874" NIL |kr| 3346617701 NIL NIL))
2-KETO-3-METHYL-VALERATE 2-keto-3-methyl-valerate ((CHEBI "35146" NIL |taltman| 3466399943 NIL NIL) (PUBCHEM "6857401" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00671" NIL |kr| 3346617699 NIL NIL) (CAS "1460-34-0")) ((LIGAND-CPD "C00671" NIL |kr| 3346617699 NIL NIL) (CAS "1460-34-0"))
1-KETO-2-METHYLVALERATE 2,3-dihydroxy-3-methylvalerate ((PUBCHEM "21263701" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C06007" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C06007" NIL |kr| 3346617701 NIL NIL))
2-KETO-ISOVALERATE 2-oxoisovalerate ((PUBCHEM "5204641" NIL |taltman| 3466375284 NIL NIL) (CHEBI "11851" NIL |taltman| 3452363318 NIL NIL) (LIGAND-CPD "C00141" NIL |kr| 3346617699 NIL NIL) (CAS "759-05-7")) ((KNAPSACK "C00007623" NIL |achi1| 3445698159 NIL NIL) (LIGAND-CPD "C00141" NIL |kr| 3346617699 NIL NIL) (CAS "759-05-7"))
DIOH-ISOVALERATE 2,3-dihydroxy-isovalerate ((PUBCHEM "21933884" NIL |taltman| 3466375285 NIL NIL) (CHEBI "11424" NIL |taltman| 3452362952 NIL NIL) (LIGAND-CPD "C04272" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C04272" NIL |kr| 3346617699 NIL NIL))
DETHIOBIOTIN dethiobiotin ((CHEBI "57861" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244917" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01909" NIL |kr| 3346617700 NIL NIL) (CAS "533-48-2")) ((LIGAND-CPD "C01909" NIL |kr| 3346617700 NIL NIL) (CAS "533-48-2"))
CPD-560 S-methyl-5-thio-D-ribose ((PUBCHEM "439904" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03089" NIL |keseler| 3342280718 NIL NIL)) ((LIGAND-CPD "C03089" NIL |keseler| 3342280718 NIL NIL) (PUBCHEM "494" NIL |keseler| 3342280718 NIL NIL))
4-P-PANTOTHENATE D-4'-phosphopantothenate ((PUBCHEM "16755653" NIL |taltman| 3466375284 NIL NIL) (CHEBI "10986" NIL |taltman| 3452363032 NIL NIL) (LIGAND-CPD "C03492" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C03492" NIL |kr| 3346617699 NIL NIL))
OH-PYR hydroxypyruvate ((PUBCHEM "4186339" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17180" NIL |taltman| 3452363343 NIL NIL) (LIGAND-CPD "C00168" NIL |kr| 3346617701 NIL NIL) (CAS "1113-60-6")) ((LIGAND-CPD "C00168" NIL |kr| 3346617701 NIL NIL) (CAS "1113-60-6"))
DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR 2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one ((PUBCHEM "25244331" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01304" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C01304" NIL |kr| 3410284649 NIL NIL))
DIHYDROXY-BUTANONE-P 1-deoxy-L-glycero-tetrulose 4-phosphate ((PUBCHEM "21983291" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C15556" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C15556" NIL |kr| 3410284649 NIL NIL))
CARBON-MONOXIDE carbon monoxide ((CHEBI "17245" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "281" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00237" NIL |kr| 3410284649 NIL NIL) (CAS "630-08-0")) ((PUBCHEM "281" NIL |taltman| 3497976212 NIL NIL) (CHEBI "17245" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6432172" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00237" NIL |kr| 3410284649 NIL NIL) (CAS "630-08-0"))
CPD-9924 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate ((CHEBI "50271" NIL |kothari| 3452951342 NIL NIL) (LIGAND-CPD "C16519" NIL |kothari| 3452951342 NIL NIL) (PUBCHEM "24883454" NIL |kothari| 3452951342 NIL NIL)) NIL
CPD-597 N-carbamoylputrescine ((PUBCHEM "25244388" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00436" NIL |kr| 3410284649 NIL NIL) (CAS "6851-51-0")) ((LIGAND-CPD "C00436" NIL |kr| 3410284649 NIL NIL) (CAS "6851-51-0"))
4-AMINO-4-DEOXYCHORISMATE 4-amino-4-deoxychorismate ((PUBCHEM "25244713" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C11355" NIL |kr| 3346617700 NIL NIL) (CAS "97279-79-3")) ((LIGAND-CPD "C11355" NIL |kr| 3346617700 NIL NIL) (CAS "97279-79-3"))
LIPID-IV-A lipid IVA ((CHEBI "58603" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "10329123" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04919" NIL |kothari| 3456245051 NIL NIL)) NIL
BISOHMYR-GLC lipid A disaccharide ((CHEBI "58466" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244866" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04932" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C04932" NIL |kr| 3346617701 NIL NIL))
CPD-7228 3''-deamino-3''-oxonicotianamine ((CHEBI "58685" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25201327" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15486" NIL |qwan| 3371835935 NIL NIL)) ((LIGAND-CPD "C15486" NIL |qwan| 3371835935 NIL NIL))
IMINOASPARTATE α-iminosuccinate ((CHEBI "58831" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "23615393" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C05840" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C05840" NIL |kr| 3346617700 NIL NIL))
CPD-7227 2'-deoxymugineic acid ((PUBCHEM "25244997" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15485" NIL |qwan| 3371507752 NIL NIL)) ((LIGAND-CPD "C15485" NIL |qwan| 3371507752 NIL NIL) (PUBCHEM "189811" NIL |caspi| 3354304255 NIL NIL))
LL-DIAMINOPIMELATE L,L-diaminopimelate ((PUBCHEM "1549100" NIL |taltman| 3466375285 NIL NIL) (CAS "583-93-7" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00666" NIL |kr| 3346617699 NIL NIL) (CAS "14289-34-0")) ((LIGAND-CPD "C00666" NIL |kr| 3346617699 NIL NIL) (CAS "583-93-7" NIL |kr| 3346617699 NIL NIL) (CAS "14289-34-0"))
CPDQT-400 2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole (PUBCHEM 23644411 NIL taltman 3466375283 NIL NIL) (PUBCHEM 5287651 NIL kadreher 3438219106 NIL NIL)
3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P 3-deoxy-D-arabino-heptulosonate-7-phosphate ((PUBCHEM "5460215" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04691" NIL |kr| 3346617700 NIL NIL) (CAS "2627-73-8")) ((LIGAND-CPD "C04691" NIL |kr| 3346617700 NIL NIL) (CAS "2627-73-8"))
CYS-GLY cysteinylglycine ((CHEBI "356322" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244227" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01419" NIL |taltman| 3459474373 NIL NIL)) NIL
DIHYDRONEOPTERIN-P 7,8-dihydroneopterin phosphate ((CHEBI "58762" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245170" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05925" NIL |kr| 3346617699 NIL NIL)) ((PUBCHEM "25245170" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05925" NIL |kr| 3346617699 NIL NIL))
CPD-7064 primary fluorescent chlorophyll catabolite ((CHEBI "58719" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244823" NIL |taltman| 3466375284 NIL NIL)) NIL
CPD-9923 (1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate ((CHEBI "58689" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25246102" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C05817" NIL |kothari| 3493053355 NIL NIL)) NIL
CPD-510 α-D-glucuronate 1-phosphate ((PUBCHEM "25244365" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05385" NIL |kr| 3346617701 NIL NIL)) ((PUBCHEM "25244365" NIL |taltman| 3466375284 NIL NIL) (CAS "583-08-4" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C05385" NIL |kr| 3346617701 NIL NIL))
O-SINAPOYLCHOLINE O-sinapoylcholine ((CAS "18696-26-9") (CHEBI "16353" NIL |taltman| 3452363369 NIL NIL) (PUBCHEM "5280385" NIL |taltman| 3451921009 NIL NIL) (LIGAND-CPD "C00933" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C00933" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "89287" NIL |hopkinso| 3317148339 NIL NIL))
SINAPOYL-S-MALATE sinapoyl-(S)-malate ((CHEBI "57426" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245856" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C02887" NIL |kothari| 3453132090 NIL NIL)) ((PUBCHEM "439836" NIL |hopkinso| 3317148591 NIL NIL))
12-BIS-O-SINAPOYL-BETA-D-GLUCOSIDE 1,2-di-O-sinapoyl-β-D-glucose ((PUBCHEM "5280665" NIL |taltman| 3466375284 NIL NIL) (CHEBI "27993" NIL |taltman| 3452363454 NIL NIL) (LIGAND-CPD "C04275" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C04275" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "440280" NIL |hopkinso| 3317069848 NIL NIL))
SINAPALDEHYDE sinapaldehyde ((CHEBI "27949" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5280802" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05610" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C05610" NIL |kr| 3410284650 NIL NIL))
CPD-558 pimeloyl-CoA ((PUBCHEM "25244818" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01063" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C01063" NIL |kr| 3346617700 NIL NIL))
3-HYDROXY-PROPIONATE 3-hydroxypropionate ((PUBCHEM "5459847" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01013" NIL |taltman| 3459474373 NIL NIL) (CHEBI "16510" NIL |taltman| 3452363547 NIL NIL) (CAS "503-66-2")) ((PUBCHEM "5459847" NIL |taltman| 3451921009 NIL NIL) (CHEBI "16510" NIL |taltman| 3452363547 NIL NIL) (LIGAND-CPD "C01013" NIL |taltman| 3459474373 NIL NIL) (CAS "96-26-4") (CAS "503-66-2"))
2K-4CH3-PENTANOATE 4-methyl-2-oxopentanoate ((PUBCHEM "3527278" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17865" NIL |taltman| 3452363546 NIL NIL) (LIGAND-CPD "C00233" NIL |kr| 3346617700 NIL NIL) (CAS "816-66-0")) ((LIGAND-CPD "C00233" NIL |kr| 3346617700 NIL NIL) (CAS "816-66-0"))
CPD-9925 1,4-dihydroxy-2-naphthoyl-CoA ((PUBCHEM "25244874" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15547" NIL |taltman| 3466371734 NIL NIL)) NIL
CPD-6972 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA ((PUBCHEM "25245100" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03160" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C03160" NIL |kr| 3346617699 NIL NIL) (PUBCHEM "11966131" NIL |peifenz| 3411488845 NIL NIL) (PUBCHEM "11953819" NIL |peifenz| 3411488750 NIL NIL))
5-OXOPROLINE 5-oxoproline ((CHEBI "58402" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5289118" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01879" NIL |sreddy| 3295209442 NIL NIL) (CAS "98-79-3")) ((LIGAND-CPD "C02238" NIL |kaipa| 3311532629 NIL NIL) (CAS "98-79-3") (LIGAND-CPD "C01879" NIL |sreddy| 3295209442 NIL NIL) (CAS "98-79-3"))
CPD-5441 N-dimethylethanolamine phosphate ((CHEBI "58641" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25201906" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C13482" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C13482" NIL |kr| 3410284649 NIL NIL))
CPD-406 N-methylethanolamine phosphate ((CHEBI "57781" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25201132" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01210" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C01210" NIL |kr| 3410284649 NIL NIL))
ETHANOL-AMINE ethanolamine ((CHEBI "57603" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "444693" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00189" NIL |kaipa| 3311532624 NIL NIL) (CAS "141-43-5")) ((KNAPSACK "C00007279" NIL |achi1| 3445698166 NIL NIL) (PUBCHEM "700" NIL |taltman| 3448034169 NIL NIL) (LIGAND "C00189" NIL |kaipa| 3311532624 NIL NIL) (LIGAND-CPD "C00189" NIL |kaipa| 3311532624 NIL NIL) (CAS "141-43-5"))
CPD-4611 kinetin-9-N-glucoside (PUBCHEM 25203435 NIL taltman 3466375284 NIL NIL) NIL
BISOHMYR-GLUCOSAMINYL-1P 2,3-bis[(3R)-3-hydroxymyristoyl]-β-D-glucosaminyl 1-phosphate ((PUBCHEM "25244842" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04824" NIL |sreddy| 3299606423 NIL NIL)) ((LIGAND-CPD "C04824" NIL |sreddy| 3299606423 NIL NIL))
CPD-4608 benzyladenine-9-N-glucoside (PUBCHEM 25201625 NIL taltman 3466375284 NIL NIL) NIL
DI-H-OROTATE (S)-dihydroorotate ((PUBCHEM "5460289" NIL |taltman| 3466375284 NIL NIL) (CHEBI "30864" NIL |caspi| 3459696259 NIL NIL) (CAS "5988-19-2" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00337" NIL |kr| 3346617699 NIL NIL) (CAS "155-54-4")) ((CAS "5988-19-2" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00337" NIL |kr| 3346617699 NIL NIL) (CAS "155-54-4"))
CPD-4603 isopentenyladenine-9-N-glucoside (PUBCHEM 25200472 NIL taltman 3466375284 NIL NIL) NIL
CPD-6442 methylsalicylate ((CHEBI "278495" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "4133" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C12305" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C12305" NIL |kr| 3410284649 NIL NIL))
CPD-9866 2-nonaprenyl-6-methoxyphenol (PUBCHEM 5372355 NIL taltman 3466375284 NIL NIL) NIL
P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE 5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole ((PUBCHEM "25244502" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04823" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C04823" NIL |kr| 3346617700 NIL NIL))
S-ADENOSYLMETHIONINAMINE S-adenosyl-L-methioninamine ((CHEBI "57443" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "25203490" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C01137" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C01137" NIL |kr| 3346617699 NIL NIL))
COPROPORPHYRINOGEN_III coproporphyrinogen III ((CHEBI "57309" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "20849114" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03263" NIL |kr| 3346617700 NIL NIL) (CAS "2624-63-7")) ((LIGAND-CPD "C03263" NIL |kr| 3346617700 NIL NIL) (CAS "2624-63-7"))
5-P-BETA-D-RIBOSYL-AMINE 5-phospho-β-D-ribosyl-amine ((PUBCHEM "25245171" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03090" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C03090" NIL |kr| 3346617700 NIL NIL))
CPD-12199 3-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA (PUBCHEM 46173446 NIL taltman 3497976212 NIL NIL) NIL
CPD-7117 delphinidin-3-O-β-D-glucoside ((PUBCHEM "25244882" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C12138" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C12138" NIL |kr| 3410284650 NIL NIL))
DOPAMINE dopamine ((PUBCHEM "3713609" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03758" NIL |keseler| 3342474637 NIL NIL) (CAS "51-61-6")) ((PUBCHEM "3713609" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "681" NIL |keseler| 3342474637 NIL NIL) (LIGAND-CPD "C03758" NIL |keseler| 3342474637 NIL NIL) (CAS "51-61-6"))
2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE 2-C-methyl-D-erythritol-4-phosphate ((PUBCHEM "21896402" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C11434" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C11434" NIL |kr| 3346617700 NIL NIL))
CPD-9245 palmitoleate ((LIGAND-CPD "C08362" NIL |kothari| 3493055898 NIL NIL) (CAS "373-49-9" NIL |kothari| 3493055898 NIL NIL) (PUBCHEM "5461012" NIL |taltman| 3466375284 NIL NIL) (CHEBI "32372" NIL |taltman| 3452363374 NIL NIL)) NIL
BETAINE-ALDEHYDE-HYDRATE betaine aldehyde hydrate ((PUBCHEM "6395359" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C07345" NIL |kothari| 3454088942 NIL NIL)) NIL
CPD-9247 cis-vaccenate ((PUBCHEM "5461069" NIL |taltman| 3466375284 NIL NIL) (CHEBI "30827" NIL |taltman| 3452363357 NIL NIL)) NIL
O-SUCCINYLBENZOATE o-succinylbenzoate ((PUBCHEM "5459922" NIL |taltman| 3466375285 NIL NIL) (CHEBI "18325" NIL |taltman| 3452363558 NIL NIL) (LIGAND-CPD "C02730" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C02730" NIL |kr| 3346617700 NIL NIL))
CPD-7100 (2S)-2-isopropyl-3-oxosuccinate ((PUBCHEM "25245894" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C04236" NIL |taltman| 3459474373 NIL NIL)) NIL
2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE (2R,3S)-3-isopropylmalate ((PUBCHEM "6857402" NIL |taltman| 3466375285 NIL NIL) (CHEBI "35121" NIL |caspi| 3459702724 NIL NIL) (LIGAND-CPD "C04411" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C04411" NIL |kr| 3346617701 NIL NIL))
CPD-548 S-formylglutathione ((PUBCHEM "25246250" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01031" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C01031" NIL |kr| 3346617701 NIL NIL))
OROTATE orotate ((PUBCHEM "1492348" NIL |taltman| 3466375284 NIL NIL) (CHEBI "30839" NIL |taltman| 3452363570 NIL NIL) (LIGAND-CPD "C00295" NIL |kr| 3346617701 NIL NIL) (CAS "65-86-1")) ((LIGAND-CPD "C00295" NIL |kr| 3346617701 NIL NIL) (CAS "65-86-1"))
OROTIDINE-5-PHOSPHATE orotidine-5'-phosphate ((PUBCHEM "25245207" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01103" NIL |kr| 3346617699 NIL NIL) (CAS "2149-82-8")) ((LIGAND-CPD "C01103" NIL |kr| 3346617699 NIL NIL) (CAS "2149-82-8"))
PREPHENATE prephenate ((PUBCHEM "5460303" NIL |taltman| 3466375284 NIL NIL) (CHEBI "29934" NIL |taltman| 3452363600 NIL NIL) (LIGAND-CPD "C00254" NIL |kr| 3346617701 NIL NIL) (CAS "126-49-8")) ((LIGAND-CPD "C00254" NIL |kr| 3346617701 NIL NIL) (CAS "126-49-8"))
AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP 4-amino-5-hydroxymethyl-2-methylpyrimidine-pyrophosphate ((CHEBI "57841" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245586" NIL |taltman| 3466375285 NIL NIL) (CAS "745-65-3" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C04752" NIL |kr| 3346617700 NIL NIL) (CAS "841-01-0")) ((CAS "745-65-3" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C04752" NIL |kr| 3346617700 NIL NIL) (CAS "841-01-0"))
AMINO-HYDROXYMETHYL-METHYL-PYR-P hydroxymethylpyrimidine phosphate ((PUBCHEM "25244846" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04556" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C04556" NIL |kr| 3346617699 NIL NIL))
CPD-659 L-arogenate ((PUBCHEM "25244469" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00826" NIL |kr| 3410284650 NIL NIL) (CAS "53078-86-7")) ((LIGAND-CPD "C00826" NIL |kr| 3410284650 NIL NIL) (CAS "53078-86-7"))
HMP hydroxymethylpyrimidine ((PUBCHEM "777" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16892" NIL |taltman| 3452363446 NIL NIL) (LIGAND-CPD "C01279" NIL |kr| 3346617700 NIL NIL) (CAS "73-67-6" NIL |caspi| 3305659566 NIL NIL)) ((LIGAND-CPD "C01279" NIL |kr| 3346617700 NIL NIL) (CAS "73-67-6" NIL |caspi| 3305659566 NIL NIL))
KDO-8P 3-deoxy-D-manno-octulosonate 8-P ((PUBCHEM "46173377" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C04478" NIL |kr| 3346617699 NIL NIL)) ((PUBCHEM "25244441" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C04478" NIL |kr| 3346617699 NIL NIL))
DEHYDROQUINATE 3-dehydroquinate ((PUBCHEM "5460271" NIL |taltman| 3466375284 NIL NIL) (CHEBI "32364" NIL |taltman| 3452363449 NIL NIL) (LIGAND-CPD "C00944" NIL |kr| 3346617699 NIL NIL) (CAS "10534-44-8")) ((LIGAND-CPD "C00944" NIL |kr| 3346617699 NIL NIL) (CAS "10534-44-8"))
N-ALPHA-ACETYLORNITHINE N-acetyl-L-ornithine ((CHEBI "57805" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6992102" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00437" NIL |kr| 3346617700 NIL NIL) (CAS "2185-16-2")) ((LIGAND-CPD "C00437" NIL |kr| 3346617700 NIL NIL) (CAS "2185-16-2"))
THIAMINE-PYROPHOSPHATE thiamine diphosphate ((CHEBI "58937" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "15938963" NIL |taltman| 3466375285 NIL NIL) (CAS "154-87-0" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00068" NIL |kr| 3346617699 NIL NIL)) ((PUBCHEM "15938963" NIL |taltman| 3466375285 NIL NIL) (CAS "154-87-0" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00068" NIL |kr| 3346617699 NIL NIL))
CPD-9600 arabinoxylan ((LIGAND-CPD "C07397" NIL |taltman| 3452530508 NIL NIL) (CHEBI "8707" NIL |taltman| 3452362862 NIL NIL) (PUBCHEM "5002" NIL |kothari| 3448716639 NIL NIL)) NIL
HYDROXYMETHYLBILANE hydroxymethylbilane ((PUBCHEM "25202903" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01024" NIL |kr| 3346617699 NIL NIL) (CAS "73023-76-4")) ((LIGAND-CPD "C01024" NIL |kr| 3346617699 NIL NIL) (CAS "73023-76-4"))
PORPHOBILINOGEN porphobilinogen ((PUBCHEM "6921588" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00931" NIL |kr| 3346617701 NIL NIL) (CAS "487-90-1")) ((LIGAND-CPD "C00931" NIL |kr| 3346617701 NIL NIL) (CAS "487-90-1"))
3-ENOLPYRUVYL-SHIKIMATE-5P 5-enolpyruvyl-shikimate-3-phosphate ((CHEBI "57701" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "14506801" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01269" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C01269" NIL |kr| 3346617701 NIL NIL))
CPD-499 mevalonate-5-phosphate ((PUBCHEM "25244548" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01107" NIL |kr| 3410284649 NIL NIL) (CAS "73566-35-5")) ((LIGAND-CPD "C01107" NIL |kr| 3410284649 NIL NIL) (CAS "73566-35-5"))
CPD-313 propane-1,3-diamine ((CHEBI "57484" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "4030255" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00986" NIL |kr| 3410284649 NIL NIL) (CAS "109-76-2")) ((PUBCHEM "4030255" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00986" NIL |kr| 3410284649 NIL NIL) (CAS "109-76-2"))
SYRINGETIN syringetin ((CHEBI "58412" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25202456" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11620" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C11620" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "25202456" NIL |taltman| 3448034169 NIL NIL))
CPD-85 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one ((CHEBI "58795" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44229177" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C15606" NIL |qwan| 3382306244 NIL NIL)) ((LIGAND-CPD "C15606" NIL |qwan| 3382306244 NIL NIL))
CPD-8999 5-(methylthio)-2,3-dioxopentyl phosphate ((CHEBI "58828" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244990" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15650" NIL |qwan| 3382304817 NIL NIL)) ((CHEBI "50604" NIL |kothari| 3468177971 NIL NIL) (PUBCHEM "25244990" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15650" NIL |qwan| 3382304817 NIL NIL))
CPD-6645 2,3-dehydrokievitone (PUBCHEM 25244982 NIL taltman 3466375284 NIL NIL) NIL
CPD-6641 2'-hydroxygenistein ((PUBCHEM "25243884" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C12134" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C12134" NIL |kr| 3410284649 NIL NIL))
CPD-9739 beta-methylenecyclopropyl pyruvate (PUBCHEM 25201294 NIL taltman 3466375284 NIL NIL) (PUBCHEM 193412 NIL dreher 3413331701 NIL NIL)
CPD-9738 2-oxo-3-carboxy-4,5-cyclopropylhex-5-enoate (PUBCHEM 25201789 NIL taltman 3466375284 NIL NIL) NIL
CPD-9737 2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate (PUBCHEM 25200592 NIL taltman 3466375284 NIL NIL) NIL
CPD-9736 3-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate (PUBCHEM 25201226 NIL taltman 3466375284 NIL NIL) NIL
CPD-9734 2-oxopenta-3,4-dienoate (PUBCHEM 25203760 NIL taltman 3466375284 NIL NIL) NIL
CPD-9727 5-hydroxy-2-oxopentanoate (PUBCHEM 25200972 NIL taltman 3466375284 NIL NIL) (PUBCHEM 23572080 NIL dreher 3413321803 NIL NIL)
CPD-9757 L-α-(methylenecyclopropyl)-glycine ((PUBCHEM "25203707" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C08292" NIL |taltman| 3459474374 NIL NIL)) NIL
CPD-9735 2-oxohexa-4,5-cyclopropyl-5-enoate (PUBCHEM 25200910 NIL taltman 3466375284 NIL NIL) NIL
PANTETHEINE-P 4'-phosphopantetheine ((PUBCHEM "25245905" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01134" NIL |kr| 3346617699 NIL NIL)) ((KNAPSACK "C00007448" NIL |achi1| 3445698172 NIL NIL) (LIGAND-CPD "C01134" NIL |kr| 3346617699 NIL NIL))
R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE R-4'-phosphopantothenoyl-L-cysteine ((CHEBI "59458" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245609" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04352" NIL |sreddy| 3299618408 NIL NIL)) ((LIGAND-CPD "C04352" NIL |sreddy| 3299618408 NIL NIL))
4-PHOSPHONOOXY-THREONINE 4-phospho-hydroxy-L-threonine ((PUBCHEM "25245557" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C06055" NIL |keseler| 3342471464 NIL NIL)) ((PUBCHEM "440901" NIL |hopkinso| 3317072464 NIL NIL) (LIGAND-CPD "C06055" NIL |keseler| 3342471464 NIL NIL))
3OH-4P-OH-ALPHA-KETOBUTYRATE 2-oxo-3-hydroxy-4-phosphobutanoate ((PUBCHEM "25245610" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C06054" NIL |keseler| 3342798911 NIL NIL)) ((PUBCHEM "440900" NIL |keseler| 3342798911 NIL NIL) (LIGAND-CPD "C06054" NIL |keseler| 3342798911 NIL NIL))
5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE 5-aminoimidazole ribonucleotide ((PUBCHEM "44229244" NIL |taltman| 3466375284 NIL NIL) (CAS "25635-88-5" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C03373" NIL |kr| 3346617701 NIL NIL)) ((CAS "25635-88-5" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C03373" NIL |kr| 3346617701 NIL NIL))
3-CARBOXY-3-HYDROXY-ISOCAPROATE (2S)-2-isopropylmalate ((PUBCHEM "6419726" NIL |taltman| 3466375285 NIL NIL) (CHEBI "35129" NIL |taltman| 3452363336 NIL NIL) (LIGAND-CPD "C02504" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C02504" NIL |kr| 3346617700 NIL NIL))
PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate ((CHEBI "58564" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "24916886" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04751" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C04751" NIL |kr| 3346617700 NIL NIL))
CPD-9451 2-isopropylmaleate ((PUBCHEM "21954611" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C02631" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C02631" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "5280533" NIL |caspi| 3407175103 NIL NIL))
CPD-602 5-amino-6-(5-phospho-D-ribosylamino)uracil ((CHEBI "58453" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245199" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01268" NIL |butler| 3266005861 NIL NIL)) ((LIGAND-CPD "C01268" NIL |butler| 3266005861 NIL NIL))
CPD-1086 5-amino-6-(5-phospho-D-ribitylamino)uracil ((PUBCHEM "25245125" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04454" NIL |butler| 3266007136 NIL NIL)) ((LIGAND-CPD "C04454" NIL |butler| 3266007136 NIL NIL))
CPD-488 β-L-fucose 1-phosphate ((CHEBI "28319" NIL |kothari| 3473447097 NIL NIL) (PUBCHEM "25203409" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C02985" NIL |kr| 3346617700 NIL NIL)) ((CAS "526-31-8" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C02985" NIL |kr| 3346617700 NIL NIL))
QUINOLINATE quinolinate ((PUBCHEM "5460301" NIL |taltman| 3466375285 NIL NIL) (CHEBI "29959" NIL |taltman| 3452363569 NIL NIL) (LIGAND-CPD "C03722" NIL |kr| 3346617700 NIL NIL) (CAS "89-00-9")) ((LIGAND-CPD "C03722" NIL |kr| 3346617700 NIL NIL) (CAS "89-00-9"))
CPD4FS-1 CDP-N-dimethylethanolamine (PUBCHEM 25244049 NIL taltman 3466375284 NIL NIL) NIL
CDP-N-METHYLETHANOLAMIN CDP-N-methylethanolamine ((PUBCHEM "25244196" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03486" NIL |sreddy| 3298920558 NIL NIL)) ((LIGAND-CPD "C03486" NIL |sreddy| 3298920558 NIL NIL))
CPD-667 O-acetyl-L-homoserine ((CHEBI "57716" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244888" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01077" NIL |kr| 3410284650 NIL NIL)) NIL
QUERCETIN-337-TRISSULFATE quercetin 3,3',7-trissulfate ((CHEBI "57813" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "21676177" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03897" NIL |sreddy| 3299358744 NIL NIL)) ((PUBCHEM "21676177" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C03897" NIL |sreddy| 3299358744 NIL NIL))
CPD-11018 isorhamnetin 3, 4'-bisulphate (PUBCHEM 45479344 NIL taltman 3497976212 NIL NIL) NIL
NICOTINAMIDE_NUCLEOTIDE nicotinamide mononucleotide ((PUBCHEM "25245788" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00455" NIL |kr| 3346617700 NIL NIL) (CAS "1094-61-7")) ((LIGAND-CPD "C00455" NIL |kr| 3346617700 NIL NIL) (CAS "1094-61-7"))
KDO 3-deoxy-D-manno-octulosonate ((CHEBI "16064" NIL |taltman| 3466400133 NIL NIL) (PUBCHEM "5460395" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01187" NIL |keseler| 3341775540 NIL NIL)) ((PUBCHEM "22706768" NIL |taltman| 3451921010 NIL NIL) (CHEBI "32817" NIL |kothari| 3454246166 NIL NIL) (LIGAND-CPD "C01187" NIL |keseler| 3341775540 NIL NIL))
CPD-8690 etheroleate (PUBCHEM 25246007 NIL taltman 3466375283 NIL NIL) NIL
CPD-459 trans-β-D-Glucosyl-2-hydroxycinnamate ((PUBCHEM "25245559" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05158" NIL |taltman| 3466371734 NIL NIL)) NIL
2-KETOGLUTARATE 2-oxoglutarate ((CHEBI "16810" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "164533" NIL |taltman| 3451921010 NIL NIL) (KNAPSACK "C00000769" NIL |achi1| 3445698159 NIL NIL) (LIGAND-CPD "C00026" NIL |kr| 3346617701 NIL NIL) (CAS "328-50-7")) ((CHEBI "16810" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "164533" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00000769" NIL |achi1| 3445698159 NIL NIL) (PUBCHEM "164533" NIL |taltman| 3451921010 NIL NIL) (CHEBI "16810" NIL |taltman| 3452438204 NIL NIL) (CHEBI "30915") (LIGAND-CPD "C00026") (PUBCHEM "51") (LIGAND-CPD "C00026" NIL |kr| 3346617701 NIL NIL) (CAS "328-50-7"))
CPD-67 2-phosphoglycolate ((PUBCHEM "24916760" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00988" NIL |kaipa| 3311532634 NIL NIL)) ((LIGAND-CPD "C00988" NIL |kaipa| 3311532634 NIL NIL))
PHOSPHORYL-CHOLINE phosphoryl-choline ((CHEBI "295975" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "3330960" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00588" NIL |kr| 3410284649 NIL NIL) (CAS "107-73-3")) ((LIGAND-CPD "C00588" NIL |kr| 3410284649 NIL NIL) (CAS "107-73-3"))
PANTOTHENATE (R)-pantothenate ((|Wikipedia| "Vitamin_B5" NIL |caspi| 3496684943 NIL NIL) (PUBCHEM "167945" NIL |taltman| 3466375285 NIL NIL) (CHEBI "29032" NIL |taltman| 3452363569 NIL NIL) (LIGAND-CPD "C00864" NIL |kr| 3346617700 NIL NIL) (CAS "79-83-4")) ((KNAPSACK "C00001550" NIL |achi1| 3445698172 NIL NIL) (LIGAND-CPD "C00864" NIL |kr| 3346617700 NIL NIL) (CAS "79-83-4"))
L-PANTOATE (R)-pantoate ((PUBCHEM "5289105" NIL |taltman| 3466375284 NIL NIL) (CHEBI "15980" NIL |caspi| 3459700666 NIL NIL) (CAS "470-29-1" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00522" NIL |kr| 3346617700 NIL NIL)) ((KNAPSACK "C00007622" NIL |achi1| 3445698171 NIL NIL) (LIGAND-CPD "C00522" NIL |kr| 3346617700 NIL NIL) (CAS "470-29-1" NIL |kr| 3346617700 NIL NIL))
THIAMINE-P thiamine-phosphate ((PUBCHEM "15942892" NIL |taltman| 3466375284 NIL NIL) (CHEBI "37575" NIL |taltman| 3452363166 NIL NIL) (CAS "532-40-1" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C01081" NIL |kr| 3346617699 NIL NIL)) ((CAS "532-40-1" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C01081" NIL |kr| 3346617699 NIL NIL))
NICOTINATE_NUCLEOTIDE nicotinate mononucleotide ((PUBCHEM "25245903" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01185" NIL |kr| 3346617700 NIL NIL) (CAS "321-02-8")) ((LIGAND-CPD "C01185" NIL |kr| 3346617700 NIL NIL) (CAS "321-02-8"))
BETAINE_ALDEHYDE betaine aldehyde ((PUBCHEM "249" NIL |taltman| 3466375285 NIL NIL) (CHEBI "15710" NIL |taltman| 3452363565 NIL NIL) (LIGAND-CPD "C00576" NIL |kr| 3346617700 NIL NIL) (CAS "7418-61-3")) ((LIGAND-CPD "C00576" NIL |kr| 3346617700 NIL NIL) (CAS "7418-61-3"))
CHOLINE choline ((PUBCHEM "305" NIL |taltman| 3466375285 NIL NIL) (CHEBI "15354" NIL |taltman| 3452363527 NIL NIL) (CAS "62-49-7") (CAS "123-41-1" NIL |keseler| 3349796746 NIL NIL) (LIGAND-CPD "C00114" NIL |kr| 3346617700 NIL NIL)) ((KNAPSACK "C00007298" NIL |achi1| 3445698160 NIL NIL) (PUBCHEM "305" NIL |taltman| 3448034169 NIL NIL) (CAS "62-49-7") (CAS "123-41-1" NIL |keseler| 3349796746 NIL NIL) (LIGAND-CPD "C00114" NIL |kr| 3346617700 NIL NIL))
2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP 2-hydroxy-3-keto-5-methylthio-1-phosphopentene ((PUBCHEM "44229144" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15651" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C15651" NIL |kr| 3410284650 NIL NIL))
CPD-5881 4α-hydroxy-tetrahydrobiopterin ((PUBCHEM "23724532" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15522" NIL |kr| 3410284649 NIL NIL)) NIL
ANTHRANILATE anthranilate ((PUBCHEM "5459842" NIL |taltman| 3466375285 NIL NIL) (CHEBI "16567" NIL |taltman| 3452363598 NIL NIL) (LIGAND-CPD "C00108" NIL |kr| 3346617701 NIL NIL) (CAS "118-92-3")) ((CHEBI "16567" NIL |taltman| 3452363598 NIL NIL) (PUBCHEM "5459842" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "227" NIL |caspi| 3399219812 NIL NIL) (LIGAND-CPD "C00108" NIL |kr| 3346617701 NIL NIL) (CAS "118-92-3"))
CHORISMATE chorismate ((PUBCHEM "5460312" NIL |taltman| 3466375284 NIL NIL) (CHEBI "29748" NIL |taltman| 3452363536 NIL NIL) (CAS "55508-12-8" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00251" NIL |kaipa| 3311532640 NIL NIL)) ((CHEBI "29748" NIL |taltman| 3452363536 NIL NIL) (PUBCHEM "5460312" NIL |taltman| 3466375284 NIL NIL) (CAS "617-12-9") (CAS "55508-12-8" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00251" NIL |kaipa| 3311532640 NIL NIL))
CPD-6991 (2S)-pinocembrin ((PUBCHEM "25200438" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C09827" NIL |kr| 3410284649 NIL NIL)) NIL
CPD-6993 pinocembrin chalcone ((CHEBI "310313" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6474295" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16404" NIL |kr| 3410284650 NIL NIL)) NIL
DIHYDROLIPOAMIDE dihydrolipoamide ((PUBCHEM "445160" NIL |taltman| 3466375285 NIL NIL) (CHEBI "43711" NIL |taltman| 3452362883 NIL NIL) (LIGAND-CPD "C00579" NIL |kawakami| 3275858565 NIL NIL)) ((LIGAND-CPD "C00579" NIL |kawakami| 3275858565 NIL NIL))
CPD-7028 pinostrobin ((PUBCHEM "6950539" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16419" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD-468 2-aminoadipate ((CHEBI "58672" NIL |taltman| 3498180761 NIL NIL) (LIGAND-CPD "C00956" NIL |taltman| 3459474374 NIL NIL) (PUBCHEM "6992111" NIL |taltman| 3451921010 NIL NIL) (CAS "542-32-5")) ((CAS "542-32-5"))
AMMONIA ammonia ((PUBCHEM "222" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00007267" NIL |achi1| 3445698159 NIL NIL) (CHEBI "32863" NIL |taltman| 3452438093 NIL NIL) (LIGAND-CPD "C00014" NIL |kr| 3410284649 NIL NIL) (CAS "7664-41-7")) ((PUBCHEM "222" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "222" NIL |taltman| 3448034169 NIL NIL) (CHEBI "32863" NIL |taltman| 3452438093 NIL NIL) (KNAPSACK "C00007267" NIL |achi1| 3445698159 NIL NIL) (KNAPKSACK "C00007267") (LIGAND-CPD "C00014" NIL |kr| 3410284649 NIL NIL) (CAS "7664-41-7"))
CPD-330 L-galactono-1,4-lactone ((PUBCHEM "439405" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01115" NIL |kr| 3410284649 NIL NIL) (CAS "1668-08-2")) ((LIGAND-CPD "C01115" NIL |kr| 3410284649 NIL NIL) (CAS "1668-08-2"))
D-ERYTHRO-IMIDAZOLE-GLYCEROL-P D-erythro-imidazole-glycerol-phosphate ((PUBCHEM "25246234" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04666" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C04666" NIL |kr| 3346617700 NIL NIL))
CPD-7139 delphinidin-3,5-diglucoside ((PUBCHEM "25244903" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16312" NIL |kr| 3410284649 NIL NIL)) NIL
CPD-7137 pelargonidin-3,5-diglucoside ((LIGAND-CPD "C08725" NIL |kothari| 3452950470 NIL NIL) (PUBCHEM "441772" NIL |kothari| 3452950470 NIL NIL)) NIL
SCOPOLETIN scopoletin ((PUBCHEM "5280460" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17488" NIL |taltman| 3452363510 NIL NIL) (LIGAND-CPD "C01752" NIL |kr| 3410284649 NIL NIL) (NCI "405647")) ((LIGAND-CPD "C01752" NIL |kr| 3410284649 NIL NIL) (NCI "405647"))
CPD-3629 2'-hydroxypseudobaptigenin ((PUBCHEM "23724666" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16226" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C16226" NIL |kr| 3410284649 NIL NIL))
CPD-3630 (-)-sophorol ((PUBCHEM "23724668" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16228" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C16228" NIL |kr| 3410284649 NIL NIL))
2-HYDROXYFORMONONETIN 2-hydroxyformononetin ((PUBCHEM "5280551" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17678" NIL |taltman| 3452363514 NIL NIL) (LIGAND-CPD "C02920" NIL |kr| 3410284649 NIL NIL) (CAS "1890-99-9")) ((LIGAND-CPD "C02920" NIL |kr| 3410284649 NIL NIL) (CAS "1890-99-9"))
HISTIDINOL histidinol ((KNAPSACK "C00007479" NIL |achi1| 3445698169 NIL NIL) (PUBCHEM "25244116" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00860" NIL |kr| 3346617700 NIL NIL) (CAS "501-28-0")) ((LIGAND-CPD "C00860" NIL |kr| 3346617700 NIL NIL) (CAS "501-28-0"))
HISTIDINAL histidinal ((PUBCHEM "25244065" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01929" NIL |taltman| 3459474373 NIL NIL)) NIL
CANAVANINOSUCCINATE canavaninosuccinate (PUBCHEM 25244319 NIL taltman 3466375284 NIL NIL) NIL
L-ARGININO-SUCCINATE L-arginino-succinate ((PUBCHEM "25245925" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03406" NIL |keseler| 3342279935 NIL NIL)) ((PUBCHEM "25245925" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "828" NIL |keseler| 3342279935 NIL NIL) (LIGAND-CPD "C03406" NIL |keseler| 3342279935 NIL NIL))
ENT-KAUR-16-EN-19-AL ent-kaurenal ((PUBCHEM "443466" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11873" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C11873" NIL |kr| 3410284649 NIL NIL))
ENT-KAUR-16-EN-19-OL ent-kaurenol ((CHEBI "475923" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "463724" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11872" NIL |taltman| 3459474374 NIL NIL)) NIL
4-MALEYL-ACETOACETATE 4-maleyl-acetoacetate ((PUBCHEM "5460066" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17105" NIL |taltman| 3452363560 NIL NIL) (LIGAND-CPD "C01036" NIL |kothari| 3451926470 NIL NIL)) NIL
MEVALONATE (R)-mevalonate ((PUBCHEM "5288798" NIL |taltman| 3466375285 NIL NIL) (CHEBI "36464" NIL |caspi| 3459699850 NIL NIL) (LIGAND-CPD "C00418" NIL |taltman| 3459474373 NIL NIL)) ((CAS "150-97-0"))
CPD-520 quercetin ((CHEBI "16243" NIL |taltman| 3498180761 NIL NIL) (|Wikipedia| "Quercetin" NIL |caspi| 3496092874 NIL NIL) (CAS "117-39-5") (NCI "9219") (PUBCHEM "5280343" NIL |caspi| 3444509379 NIL NIL) (LIGAND-CPD "C00389" NIL |taltman| 3459474374 NIL NIL)) ((LIGAND-CPD "C00389" NIL |taltman| 3459474374 NIL NIL) (PUBCHEM "5280343" NIL |caspi| 3444509379 NIL NIL) (NCI "9219") (CAS "117-39-5"))
CPD-332 dihydrozeatin ((PUBCHEM "439631" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C02029" NIL |kr| 3410284649 NIL NIL) (CAS "23599-75-9")) ((LIGAND-CPD "C02029" NIL |kr| 3410284649 NIL NIL) (CAS "23599-75-9"))
APS adenosine 5'-phosphosulfate ((PUBCHEM "25246029" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00224" NIL |keseler| 3342475894 NIL NIL) (CAS "485-84-7")) ((PUBCHEM "25246029" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "10238" NIL |keseler| 3342475894 NIL NIL) (LIGAND-CPD "C00224" NIL |keseler| 3342475894 NIL NIL) (CAS "485-84-7"))
DELTA3-ISOPENTENYL-PP isopentenyl diphosphate ((CHEBI "128769" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "15983957" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00129" NIL |keseler| 3341251572 NIL NIL)) ((KNAPSACK "C00000848" NIL |achi1| 3445698166 NIL NIL) (CHEBI "128769" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "15983957" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "15983957" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00129" NIL |keseler| 3341251572 NIL NIL))
CPD-641 mevalonate-diphosphate ((PUBCHEM "24916915" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01143" NIL |kr| 3410284649 NIL NIL) (CAS "4872-34-8")) ((LIGAND-CPD "C01143" NIL |kr| 3410284649 NIL NIL) (CAS "4872-34-8"))
2-ACETO-2-HYDROXY-BUTYRATE 2-aceto-2-hydroxy-butanoate ((PUBCHEM "13999771" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C06006" NIL |keseler| 3342801886 NIL NIL) (CAS "3142-65-2")) ((LIGAND-CPD "C06006" NIL |keseler| 3342801886 NIL NIL) (PUBCHEM "21" NIL |keseler| 3342801886 NIL NIL) (CAS "3142-65-2"))
2-ACETO-LACTATE (S)-2-acetolactate ((CHEBI "58476" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "13999770" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C06010" NIL |keseler| 3342802103 NIL NIL)) ((PUBCHEM "440878" NIL |keseler| 3342802103 NIL NIL) (LIGAND-CPD "C06010" NIL |keseler| 3342802103 NIL NIL))
S-RETICULINE (S)-reticuline ((PUBCHEM "25203074" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16718" NIL |taltman| 3452363525 NIL NIL) (LIGAND-CPD "C02105" NIL |kothari| 3451925734 NIL NIL)) ((PUBCHEM "25203074" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C02105" NIL |kothari| 3451925734 NIL NIL) (PUBCHEM "439653" NIL |kothari| 3451925805 NIL NIL) (CHEBI "16718" NIL |taltman| 3452363525 NIL NIL))
SHIKIMATE-5P shikimate-3-phosphate ((CHEBI "145989" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "14506806" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03175" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C03175" NIL |kr| 3346617699 NIL NIL))
SHIKIMATE shikimate ((CHEBI "36208" NIL |taltman| 3466399878 NIL NIL) (PUBCHEM "7057976" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00493" NIL |kaipa| 3311532640 NIL NIL) (CAS "138-59-0")) ((PUBCHEM "7057976" NIL |taltman| 3466375284 NIL NIL) (CHEBI "36208" NIL |taltman| 3466399878 NIL NIL) (PUBCHEM "21872888" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00493" NIL |kaipa| 3311532640 NIL NIL) (CAS "138-59-0"))
L-HISTIDINOL-P L-histidinol-phosphate ((KNAPSACK "C00007480" NIL |achi1| 3445698171 NIL NIL) (PUBCHEM "25245017" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01100" NIL |kr| 3346617698 NIL NIL) (CAS "25679-93-0")) ((LIGAND-CPD "C01100" NIL |kr| 3346617698 NIL NIL) (CAS "25679-93-0"))
IMIDAZOLE-ACETOL-P imidazole acetol-phosphate ((CHEBI "57766" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244516" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01267" NIL |kr| 3346617699 NIL NIL) (CAS "99979-59-6")) ((LIGAND-CPD "C01267" NIL |kr| 3346617699 NIL NIL) (CAS "99979-59-6"))
4-AMINO-BUTYRATE 4-aminobutyrate ((PUBCHEM "6992099" NIL |taltman| 3466375284 NIL NIL) (CHEBI "30566") (LIGAND-CPD "C00334" NIL |kr| 3346617701 NIL NIL) (CAS "56-12-2")) ((PUBCHEM "6992099" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "6992099" NIL |taltman| 3451921010 NIL NIL) (CHEBI "30566") (PUBCHEM "119") (LIGAND-CPD "C00334") (LIGAND-CPD "C00334" NIL |kr| 3346617701 NIL NIL) (CAS "56-12-2"))
L-CYSTATHIONINE L-cystathionine ((CHEBI "17482" NIL |kothari| 3498326892 NIL NIL) (LIGAND-CPD "C02291" NIL |kothari| 3498326892 NIL NIL) (PUBCHEM "25243997" NIL |taltman| 3466375285 NIL NIL) (CAS "56-88-2")) ((LIGAND-CPD "C02291" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00542" NIL |kaipa| 3311532637 NIL NIL) (CAS "56-88-2"))
ACETYLSERINE O-acetyl-L-serine ((PUBCHEM "25245438" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00979" NIL |kr| 3346617699 NIL NIL) (CAS "66638-22-0")) ((LIGAND-CPD "C00979" NIL |kr| 3346617699 NIL NIL) (CAS "66638-22-0"))
ACRYLAMIDE acrylamide ((CHEBI "28619" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "6579" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01659" NIL |kr| 3410284649 NIL NIL) (NCI "7785")) ((LIGAND-CPD "C01659" NIL |kr| 3410284649 NIL NIL) (NCI "7785"))
TAXA-42011-DIEN-5A13A-DIOL taxa-4(20),11-dien-5α,13α-diol ((PUBCHEM "443487" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11897" NIL |taltman| 3452530089 NIL NIL)) NIL
TAXA-42011-DIEN-5A-OL taxa-4(20),11-dien-5α-ol ((PUBCHEM "443485" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11895" NIL |taltman| 3452530089 NIL NIL)) NIL
L-GALACTOSE L-galactose ((PUBCHEM "6971007" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01825" NIL |taltman| 3459474373 NIL NIL) (CHEBI "37620" NIL |taltman| 3452363170 NIL NIL)) NIL
LINAMARIN linamarin ((CHEBI "16441" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "11128" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01594" NIL |sreddy| 3295191149 NIL NIL) (CAS "554-35-8")) ((LIGAND-CPD "C01594" NIL |sreddy| 3295191149 NIL NIL) (CAS "554-35-8"))
ALLANTOATE allantoate ((CHEBI "17536" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5287444" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00499" NIL |kr| 3346617701 NIL NIL) (CAS "99-16-1")) ((LIGAND-CPD "C00499" NIL |kr| 3346617701 NIL NIL) (CAS "99-16-1"))
CPD-444 5-methylthioribose-1-phosphate ((PUBCHEM "25245660" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04188" NIL |keseler| 3342292083 NIL NIL)) ((PUBCHEM "440251" NIL |keseler| 3342292083 NIL NIL) (LIGAND-CPD "C04188" NIL |keseler| 3342292083 NIL NIL))
DIHYDRONEOPTERIN-P3 7,8-dihydroneopterin triphosphate ((CHEBI "58462" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25201779" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C04895" NIL |kawakami| 3292252378 NIL NIL)) ((PUBCHEM "44229135" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04895" NIL |kawakami| 3292252378 NIL NIL))
CPD-1102 indole-3-acetyl-β-1-D-glucose ((PUBCHEM "440255" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17990" NIL |taltman| 3452362807 NIL NIL) (LIGAND-CPD "C04197" NIL |kr| 3410284649 NIL NIL)) NIL
HS hydrogen sulfide ((LIGAND-CPD "C00283" NIL |kothari| 3477360004 NIL NIL) (PUBCHEM "402" NIL |taltman| 3466375285 NIL NIL) (CAS "7783-06-4" NIL |jdale| 3456083194 NIL NIL) (CHEBI "16136" NIL |taltman| 3452438017 NIL NIL)) ((CHEBI "16136" NIL |taltman| 3452438017 NIL NIL) (CAS "7783-06-4" NIL |jdale| 3456083194 NIL NIL) (PUBCHEM "402" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00283" NIL |kothari| 3477360004 NIL NIL) (LIGAND-CPD "C00283" NIL |kr| 3346617699 NIL NIL) (CAS "06/04/7783" NIL |kr| 3346617699 NIL NIL))
CPD-397 S-methyl-L-methionine ((CHEBI "17728" NIL |kothari| 3474390781 NIL NIL) (PUBCHEM "7098638" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03172" NIL |kr| 3346617700 NIL NIL)) ((CAS "4289-98-9" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C03172" NIL |kr| 3346617700 NIL NIL) (CAS "4727-40-6"))
CPD-7670 dimethylsulfide ((PUBCHEM "1068" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17437" NIL |taltman| 3452363496 NIL NIL) (LIGAND-CPD "C00580" NIL |kr| 3346617699 NIL NIL) (CAS "75-18-3")) ((PUBCHEM "1068" NIL |caspi| 3359470972 NIL NIL) (LIGAND-CPD "C00580" NIL |kr| 3346617699 NIL NIL) (CAS "75-18-3"))
S-HYDROXYMETHYLGLUTATHIONE S-hydroxymethylglutathione ((CHEBI "58758" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244017" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C14180" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C14180" NIL |kr| 3410284649 NIL NIL))
THZ-P 4-methyl-5-(2-phosphonooxyethyl)thiazole ((PUBCHEM "25245616" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04327" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C04327" NIL |kr| 3346617701 NIL NIL))
THZ 4-methyl-5-(β-hydroxyethyl)thiazole ((PUBCHEM "1136" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17957" NIL |taltman| 3452363478 NIL NIL) (LIGAND-CPD "C04294" NIL |kr| 3346617699 NIL NIL) (CAS "137-00-8")) ((LIGAND-CPD "C04294" NIL |kr| 3346617699 NIL NIL) (CAS "137-00-8"))
CPD-239 cysteamine ((PUBCHEM "3799953" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01678" NIL |kr| 3410284649 NIL NIL) (CAS "60-23-1")) ((LIGAND-CPD "C01678" NIL |kr| 3410284649 NIL NIL) (CAS "60-23-1"))
CPD-7671 methanethiol ((PUBCHEM "878" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16007" NIL |taltman| 3452363496 NIL NIL) (LIGAND-CPD "C00409" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C00409" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "878" NIL |caspi| 3359471557 NIL NIL))
ACET acetate ((PUBCHEM "175" NIL |taltman| 3466375285 NIL NIL) (CHEBI "30089" NIL |taltman| 3452363544 NIL NIL) (CAS "64-19-7" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C00033" NIL |kr| 3346617701 NIL NIL) (CAS "71-50-1")) ((PUBCHEM "175" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "175" NIL |taltman| 3448034169 NIL NIL) (CHEBI "30089" NIL |taltman| 3452363544 NIL NIL) (LIGAND-CPD "c00033" NIL |kawakami| 3278885083 NIL NIL) (PUBCHEM "176" NIL |keseler| 3393859987 NIL NIL) (CAS "64-19-7" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C00033" NIL |kr| 3346617701 NIL NIL) (CAS "71-50-1"))
THREO-DS-ISO-CITRATE D-threo-isocitrate ((LIGAND-CPD "C00451" NIL |kothari| 3492541244 NIL NIL) (KNAPSACK "C00001188" NIL |achi1| 3445698173 NIL NIL) (CAS "320-77-4") (CAS "30810-51-6" NIL |kr| 3346617700 NIL NIL) (PUBCHEM "5459771" NIL |taltman| 3466375284 NIL NIL) (CHEBI "15562" NIL |taltman| 3452363561 NIL NIL)) ((CHEBI "15562" NIL |taltman| 3452363561 NIL NIL) (PUBCHEM "5459771" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00451" NIL |kothari| 3492541244 NIL NIL) (KNAPSACK "C00001188" NIL |achi1| 3445698173 NIL NIL) (CAS "30810-51-6" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00311" NIL |kr| 3346617700 NIL NIL) (CAS "320-77-4"))
D-LACTATE (R)-lactate ((PUBCHEM "5460179" NIL |taltman| 3466375285 NIL NIL) (CHEBI "16004" NIL |taltman| 3452363573 NIL NIL) (LIGAND-CPD "C00256" NIL |kr| 3346617700 NIL NIL) (CAS "10326-41-7")) ((LIGAND-CPD "C00256" NIL |kr| 3346617700 NIL NIL) (CAS "10326-41-7"))
L-LACTATE (S)-lactate ((PUBCHEM "5460161" NIL |taltman| 3466375285 NIL NIL) (CHEBI "16651" NIL |taltman| 3452363485 NIL NIL) (CAS "79-33-4" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00186" NIL |kr| 3346617700 NIL NIL)) ((CAS "50-21-5" NIL |hopkinso| 3311801781 NIL NIL) (CAS "598-82-3" NIL |hopkinso| 3311801781 NIL NIL) (CAS "79-33-4" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00186" NIL |kr| 3346617700 NIL NIL))
DODECANOATE laurate ((PUBCHEM "4149208" NIL |taltman| 3466375284 NIL NIL) (CHEBI "18262" NIL |taltman| 3452363583 NIL NIL) (LIGAND-CPD "C02679" NIL |kr| 3346617701 NIL NIL) (NCI "5026") (CAS "143-07-7")) ((CHEBI "18262" NIL |taltman| 3452363583 NIL NIL) (PUBCHEM "4149208" NIL |taltman| 3466375284 NIL NIL) (CHEBI "30805" NIL |kadreher| 3428364718 NIL NIL) (LIGAND-CPD "C02679" NIL |kr| 3346617701 NIL NIL) (NCI "5026") (CAS "143-07-7"))
CPD-195 octanoate ((CHEBI "25646" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "119389" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C06423" NIL |kr| 3346617699 NIL NIL) (NCI "5024") (CAS "124-07-2")) ((LIGAND-CPD "C06423" NIL |kr| 3346617699 NIL NIL) (NCI "5024") (CAS "124-07-2"))
CPD-12282 ω-hydroxylaurate ((CHEBI "36204" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "9548810" NIL |taltman| 3497976212 NIL NIL)) ((PUBCHEM "79034" NIL |anuradha| 3477739342 NIL NIL))
12-OXO-TRANS-10-DODECENOATE traumatin ((PUBCHEM "15388629" NIL |taltman| 3466375284 NIL NIL) (CHEBI "19144" NIL |dreher| 3414424454 NIL NIL) (LIGAND-CPD "C16309" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C16309" NIL |kr| 3410284650 NIL NIL) (CHEBI "19144" NIL |dreher| 3414424454 NIL NIL) (PUBCHEM "5312889" NIL |dreher| 3414424454 NIL NIL))
12-OXO-CIS-9-DODECENOATE 12-oxo-cis-9-dodecenoate ((PUBCHEM "25243932" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16311" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C16311" NIL |kr| 3410284650 NIL NIL) (PUBCHEM "543432" NIL |hopkinso| 3324399001 NIL NIL))
OLEATE-CPD oleate ((PUBCHEM "5460221" NIL |taltman| 3466375284 NIL NIL) (CHEBI "30823" NIL |taltman| 3452363583 NIL NIL) (LIGAND-CPD "C00712" NIL |keseler| 3342473037 NIL NIL) (CAS "112-80-1")) ((PUBCHEM "5460221" NIL |taltman| 3466375284 NIL NIL) (KNAPSACK "C00001232" NIL |achi1| 3445698172 NIL NIL) (PUBCHEM "5460221" NIL |taltman| 3451921010 NIL NIL) (CHEBI "30823" NIL |taltman| 3452363583 NIL NIL) (CHEBI "30823" NIL |kadreher| 3428351124 NIL NIL) (PUBCHEM "445639" NIL |keseler| 3342473037 NIL NIL) (LIGAND-CPD "C00712" NIL |keseler| 3342473037 NIL NIL) (CAS "112-80-1"))
CPD-729 12-oxo-cis-10,15-phytodienoate ((PUBCHEM "25246059" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C01226" NIL |taltman| 3459474373 NIL NIL)) ((PUBCHEM "25246059" NIL |taltman| 3451921009 NIL NIL))
CPD-730 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoate ((PUBCHEM "25244083" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04780" NIL |taltman| 3459474373 NIL NIL)) ((PUBCHEM "25244083" NIL |taltman| 3451921010 NIL NIL))
PALMITATE palmitate ((PUBCHEM "504166" NIL |taltman| 3466375285 NIL NIL) (CHEBI "29889" NIL |taltman| 3452363583 NIL NIL) (|Wikipedia| "Palmitic_acid" NIL |caspi| 3426256326 NIL NIL) (LIGAND-CPD "C00249" NIL |keseler| 3342470915 NIL NIL) (CAS "57-10-3")) ((CHEBI "29889" NIL |taltman| 3452363583 NIL NIL) (PUBCHEM "504166" NIL |taltman| 3466375285 NIL NIL) (|Wikipedia| "Palmitic_acid" NIL |caspi| 3426256326 NIL NIL) (LIGAND-CPD "C00249" NIL |keseler| 3342470915 NIL NIL) (PUBCHEM "985" NIL |keseler| 3342470915 NIL NIL) (CAS "57-10-3"))
ARACHIDIC_ACID arachidate ((PUBCHEM "5461017" NIL |taltman| 3466375284 NIL NIL) (CHEBI "32360" NIL |taltman| 3452363365 NIL NIL) (LIGAND-CPD "C06425" NIL |kr| 3410284649 NIL NIL)) NIL
CPD-7836 myristate ((PUBCHEM "4075158" NIL |taltman| 3466375284 NIL NIL) (CHEBI "30807" NIL |taltman| 3452363408 NIL NIL) (LIGAND-CPD "C06424" NIL |kr| 3410284649 NIL NIL) (CAS "544-63-8" NIL |keseler| 3373047613 NIL NIL)) ((CAS "544-63-8" NIL |keseler| 3373047613 NIL NIL) (PUBCHEM "11005" NIL |keseler| 3373047613 NIL NIL) (KNAPSACK "C00001228" NIL |achi1| 3445698164 NIL NIL))
STEARIC_ACID stearate ((PUBCHEM "3033836" NIL |taltman| 3466375284 NIL NIL) (CHEBI "25629" NIL |taltman| 3452363409 NIL NIL) (LIGAND-CPD "C01530" NIL |kr| 3346617699 NIL NIL) (CAS "57-11-4")) ((LIGAND-CPD "C01530" NIL |kr| 3346617699 NIL NIL) (CAS "57-11-4"))
CPD-8477 petroselinate ((PUBCHEM "5461010" NIL |taltman| 3466375284 NIL NIL) (CHEBI "32375" NIL |taltman| 3452363349 NIL NIL) (LIGAND-CPD "C08363" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C08363" NIL |kr| 3410284650 NIL NIL) (PUBCHEM "5281125" NIL |Tom Walk| 3370882120 NIL NIL))
CPD-728 12,13(S)-epoxylinolenate ((PUBCHEM "25244010" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04672" NIL |taltman| 3459474373 NIL NIL)) ((PUBCHEM "25244010" NIL |taltman| 3451921010 NIL NIL))
13-HYDROPEROXYOCTADECA-911-DIENOATE (9Z,11E)-(13S)-13-hydroperoxyoctadeca-9,11-dienoate ((PUBCHEM "25244708" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04717" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD-12218 3-hydroxy-3-phenylpropionate ((PUBCHEM "22328018" NIL |taltman| 3497976212 NIL NIL) (CHEBI "19929" NIL |dreher| 3476216729 NIL NIL)) ((CHEBI "19929" NIL |dreher| 3476216729 NIL NIL) (PUBCHEM "92959" NIL |dreher| 3476216729 NIL NIL) (PUBCHEM "22328018" NIL |dreher| 3476216729 NIL NIL))
GLUCONATE D-gluconate ((CHEBI "18391" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6419706" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00257" NIL |kr| 3346617698 NIL NIL) (CAS "526-95-4")) ((PUBCHEM "10690" NIL |caspi| 3383922077 NIL NIL) (LIGAND-CPD "C00257" NIL |kr| 3346617698 NIL NIL) (CAS "526-95-4"))
SUC succinate ((CHEBI "30031" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "160419" NIL |taltman| 3451921010 NIL NIL) (KNAPSACK "C00001205" NIL |achi1| 3445698173 NIL NIL) (LIGAND-CPD "C00042" NIL |kr| 3346617700 NIL NIL) (CAS "110-15-6")) ((CHEBI "30031" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "160419" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001205" NIL |achi1| 3445698173 NIL NIL) (PUBCHEM "160419" NIL |taltman| 3451921010 NIL NIL) (CHEBI "30031" NIL |taltman| 3452438129 NIL NIL) (CHEBI "15741") (LIGAND-CPD "C00042") (PUBCHEM "1110") (CAS "110-15-6" NIL |hopkinso| 3311801415 NIL NIL) (LIGAND-CPD "C00042" NIL |kr| 3346617700 NIL NIL) (CAS "110-15-6"))
L-ASPARTATE L-aspartate ((PUBCHEM "5460542" NIL |taltman| 3466375285 NIL NIL) (CHEBI "35391" NIL |taltman| 3452363248 NIL NIL) (LIGAND-CPD "C00049" NIL |kr| 3346617701 NIL NIL) (CAS "56-84-8")) ((PUBCHEM "5460542" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001342" NIL |achi1| 3445698171 NIL NIL) (CHEBI "35391" NIL |taltman| 3452363248 NIL NIL) (PUBCHEM "5460542" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00049" NIL |kr| 3346617701 NIL NIL) (CAS "56-84-8"))
MAL (S)-malate ((CAS "6915-15-7") (PUBCHEM "5459792" NIL |taltman| 3466375285 NIL NIL) (CHEBI "15589" NIL |taltman| 3452363473 NIL NIL) (CAS "97-67-6" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00149" NIL |kr| 3346617699 NIL NIL)) ((KNAPSACK "C00001192" NIL |achi1| 3445698171 NIL NIL) (CHEBI "15589" NIL |taltman| 3452363473 NIL NIL) (PUBCHEM "5459792" NIL |taltman| 3466375285 NIL NIL) (CAS "97-67-6" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00149" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00497" NIL |kaipa| 3311532622 NIL NIL) (CAS "6915-15-7"))
OCTADEC-9-ENE-118-DIOIC-ACID octadecenedioate ((PUBCHEM "20482290" NIL |taltman| 3466375284 NIL NIL)) ((PUBCHEM "20482290" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "9543674" NIL |peifenz| 3432660200 NIL NIL))
GLYOX glyoxylate ((KNAPSACK "C00001186") (PUBCHEM "3614358" NIL |taltman| 3466375285 NIL NIL) (CHEBI "35179" NIL |taltman| 3452437911 NIL NIL) (LIGAND-CPD "C00048" NIL |kr| 3346617698 NIL NIL) (CAS "298-12-4")) ((PUBCHEM "3614358" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001186") (PUBCHEM "3614358" NIL |taltman| 3451921010 NIL NIL) (CHEBI "35179" NIL |taltman| 3452437911 NIL NIL) (KNAPKSACK "C00001186") (LIGAND-CPD "C00048" NIL |kr| 3346617698 NIL NIL) (CAS "298-12-4"))
PYRUVATE pyruvate ((PUBCHEM "107735" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001200" NIL |achi1| 3445698172 NIL NIL) (CHEBI "15361" NIL |taltman| 3452363604 NIL NIL) (LIGAND-CPD "c00022" NIL |kawakami| 3278871674 NIL NIL) (LIGAND-CPD "C00022" NIL |kr| 3346617699 NIL NIL) (CAS "127-17-3") (UM-BBD-CPD "c0159" NIL |kawakami| 3278871244 NIL NIL)) ((PUBCHEM "107735" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "107735" NIL |taltman| 3451921010 NIL NIL) (CHEBI "15361" NIL |taltman| 3452363604 NIL NIL) (PUBCHEM "1060" NIL |taltman| 3448034169 NIL NIL) (KNAPSACK "C00001200" NIL |achi1| 3445698172 NIL NIL) (KNAPKSACK "C00001200") (LIGAND-CPD "C00022" NIL |kr| 3346617699 NIL NIL) (CAS "127-17-3") (LIGAND-CPD "c00022" NIL |kawakami| 3278871674 NIL NIL) (UM-BBD-CPD "c0159" NIL |kawakami| 3278871244 NIL NIL))
2-OXOBUTANOATE 2-oxobutanoate ((CHEBI "16763" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "3593277" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00109" NIL |kr| 3346617701 NIL NIL) (CAS "600-18-0")) ((LIGAND-CPD "C00109" NIL |kr| 3346617701 NIL NIL) (CAS "600-18-0"))
P-HYDROXY-PHENYLPYRUVATE 4-hydroxyphenylpyruvate ((CHEBI "36242" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6971070" NIL |taltman| 3466375285 NIL NIL) (CAS "156-39-8") (LIGAND-CPD "C01179" NIL |keseler| 3342477624 NIL NIL)) ((PUBCHEM "6971070" NIL |taltman| 3451921010 NIL NIL) (CHEBI "36242" NIL |taltman| 3452363218 NIL NIL) (CAS "156-39-8") (PUBCHEM "979" NIL |keseler| 3342477624 NIL NIL) (LIGAND-CPD "C01179" NIL |keseler| 3342477624 NIL NIL))
CPD-7867 1-dodecanol ((PUBCHEM "8193" NIL |taltman| 3466375284 NIL NIL) (CHEBI "28878" NIL |taltman| 3452363293 NIL NIL) (LIGAND-CPD "C02277" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C02277" NIL |kr| 3410284650 NIL NIL))
CHLOROPHYLL-A chlorophyll a ((KNAPSACK "C00001528" NIL |kothari| 3493153345 NIL NIL) (CHEBI "18230" NIL |kothari| 3493153345 NIL NIL) (CAS "479-61-8" NIL |kothari| 3493153345 NIL NIL) (LIGAND-CPD "C05306" NIL |kothari| 3493153345 NIL NIL) (PUBCHEM "25245296" NIL |taltman| 3466375284 NIL NIL)) NIL
HEME_O heme o ((PUBCHEM "25244420" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C15672" NIL |taltman| 3466371734 NIL NIL)) NIL
MONO-VINYL-PROTOCHLOROPHYLLIDE-A monovinyl protochlorophyllide a ((PUBCHEM "44229077" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C02880" NIL |sreddy| 3295644193 NIL NIL) (CAS "14751-08-7")) ((CAS "14751-08-7") (CAS "14751-08-7") (LIGAND-CPD "C02880" NIL |sreddy| 3295644193 NIL NIL) (LIGAND-CPD "C02880" NIL |sreddy| 3295644193 NIL NIL))
PROTOHEME protoheme IX ((PUBCHEM "44229124" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17627" NIL |taltman| 3452363577 NIL NIL) (LIGAND-CPD "C00032" NIL |kr| 3346617699 NIL NIL) (CAS "14875-96-8")) ((LIGAND-CPD "C00032" NIL |kr| 3346617699 NIL NIL) (CAS "14875-96-8"))
CPD-7006 tetrahydrogeranylgeranyl-chlorophyll a (PUBCHEM 25245863 NIL taltman 3466375284 NIL NIL) NIL
CPD-7004 dihydrogeranylgeranyl-chlorophyll a (PUBCHEM 25245376 NIL taltman 3466375284 NIL NIL) NIL
CPD-7005 geranylgeranyl-chlorophyll a (PUBCHEM 25244764 NIL taltman 3466375284 NIL NIL) NIL
MG-PROTOPORPHYRIN Mg-protoporphyrin ((PUBCHEM "44229120" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C03516" NIL |taltman| 3459474374 NIL NIL)) ((KNAPSACK "C00007369" NIL |achi1| 3445698171 NIL NIL))
131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M 131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester ((CHEBI "60490" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44229101" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C11830" NIL |taltman| 3466371734 NIL NIL)) NIL
13-HYDROXY-MAGNESIUM-PROTOPORP 131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester ((CHEBI "60489" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44229246" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C11829" NIL |taltman| 3466371734 NIL NIL)) NIL
MG-PROTOPORPHYRIN-MONOMETHYL-ESTER magnesium-protoporphyrin IX 13-monomethyl ester ((CHEBI "60491" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44229200" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C04536" NIL |taltman| 3459474374 NIL NIL)) NIL
2-PG 2-phospho-D-glycerate ((PUBCHEM "40467846" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00631" NIL |kr| 3346617700 NIL NIL) (CAS "2553-59-5")) ((PUBCHEM "25245446" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00631" NIL |kr| 3346617700 NIL NIL) (CAS "2553-59-5"))
GLYCERATE D-glycerate ((CHEBI "16659" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5460358" NIL |taltman| 3497976212 NIL NIL) (CAS "473-81-4" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00258" NIL |kr| 3346617700 NIL NIL) (CAS "6000-40-4")) ((KNAPKSACK "C00001185") (CAS "473-81-4" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00258" NIL |kr| 3346617700 NIL NIL) (CAS "6000-40-4"))
G3P 3-phospho-D-glycerate ((CHEBI "242490" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245548" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00197" NIL |kr| 3346617701 NIL NIL) (CAS "820-11-1")) ((PUBCHEM "25245548" NIL |taltman| 3466375285 NIL NIL) (KNAPKSACK "C00007286") (LIGAND-CPD "C00197" NIL |kr| 3346617701 NIL NIL) (CAS "820-11-1"))
SIROHYDROCHLORIN sirohydrochlorin ((CHEBI "58351" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245154" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C05778" NIL |kr| 3346617699 NIL NIL) (CAS "65207-12-7")) ((LIGAND-CPD "C05778" NIL |kr| 3346617699 NIL NIL) (CAS "65207-12-7"))
CPD-7061 pheophorbide a ((LIGAND-CPD "C18021" NIL |taltman| 3497980092 NIL NIL) (CHEBI "38257" NIL |kothari| 3452950655 NIL NIL) (PUBCHEM "5323510" NIL |kothari| 3452950655 NIL NIL)) NIL
CPD-10296 pyropheophorbide a ((LIGAND-CPD "C18064" NIL |taltman| 3497980049 NIL NIL) (CHEBI "48398" NIL |kothari| 3452953954 NIL NIL) (PUBCHEM "5489042" NIL |kothari| 3452953954 NIL NIL)) NIL
DIHYDROSIROHYDROCHLORIN precorrin-2 ((CHEBI "58827" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245987" NIL |taltman| 3466375284 NIL NIL) (CAS "82542-92-5" NIL |keseler| 3440190353 NIL NIL) (LIGAND-CPD "C02463" NIL |kr| 3346617699 NIL NIL)) ((CAS "65207-12-7" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C02463" NIL |kr| 3346617699 NIL NIL))
CPD-9038 precorrin-1 ((CHEBI "58893" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245954" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C15527" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C15527" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "11954200" NIL |caspi| 3386017332 NIL NIL))
CPD-7063 red chlorophyll catabolite (PUBCHEM 25244455 NIL taltman 3466375284 NIL NIL) NIL
PROTOPORPHYRIN_IX protoporphyrin IX ((CHEBI "57306" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "3794562" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C02191" NIL |kr| 3346617699 NIL NIL) (CAS "553-12-8")) ((KNAPSACK "C00007370" NIL |achi1| 3445698172 NIL NIL) (LIGAND-CPD "C02191" NIL |kr| 3346617699 NIL NIL) (CAS "553-12-8"))
PROTOPORPHYRINOGEN protoporphyrinogen IX ((CHEBI "57307" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "20849104" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01079" NIL |kr| 3346617700 NIL NIL) (CAS "7412-77-3")) ((LIGAND-CPD "C01079" NIL |kr| 3346617700 NIL NIL) (CAS "7412-77-3"))
UROPORPHYRINOGEN-III uroporphyrinogen-III ((CHEBI "57308" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25202645" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01051" NIL |kr| 3346617700 NIL NIL) (CAS "1976-85-8")) ((LIGAND-CPD "C01051" NIL |kr| 3346617700 NIL NIL) (CAS "1976-85-8"))
SIROHEME siroheme ((CHEBI "28599" NIL |taltman| 3466400118 NIL NIL) (PUBCHEM "9548568" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00748" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C00748" NIL |kr| 3346617700 NIL NIL))
CH3-MALONATE-S-ALD (S)-methylmalonate-semialdehyde ((LIGAND-CPD "C06002" NIL |kothari| 3505483567 NIL NIL) (CHEBI "27821" NIL |taltman| 3499618762 NIL NIL) (PUBCHEM "46173457" NIL |taltman| 3497976212 NIL NIL) (CAS "6236-08-4")) ((LIGAND-CPD "C00349" NIL |kr| 3410284649 NIL NIL) (CAS "6236-08-4"))
PHENYL-PYRUVATE keto-phenylpyruvate ((PUBCHEM "4592697" NIL |taltman| 3466375285 NIL NIL) (CHEBI "18005" NIL |taltman| 3452363489 NIL NIL) (LIGAND-CPD "C00166" NIL |kr| 3346617699 NIL NIL) (CAS "156-06-9")) ((CHEBI "18005" NIL |taltman| 3452363489 NIL NIL) (PUBCHEM "4592697" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "997" NIL |caspi| 3393004267 NIL NIL) (LIGAND-CPD "C00166" NIL |kr| 3346617699 NIL NIL) (CAS "156-06-9"))
OXOPENTENOATE 2-oxopentenoate ((LIGAND-CPD "C00596" NIL |kothari| 3498843700 NIL NIL) (PUBCHEM "9543147" NIL |taltman| 3466375285 NIL NIL) (CHEBI "11641" NIL |taltman| 3452363189 NIL NIL) (UM-BBD-CPD "c0102" NIL |kawakami| 3278869950 NIL NIL)) ((LIGAND-CPD "C00596" NIL |kr| 3346617700 NIL NIL) (CAS "159694-16-3") (LIGAND-CPD "c00596" NIL |kawakami| 3278869950 NIL NIL) (UM-BBD-CPD "c0102" NIL |kawakami| 3278869950 NIL NIL))
FE+2 Fe2+ ((LIGAND-CPD "C14818" NIL |taltman| 3497979943 NIL NIL) (PUBCHEM "27284" NIL |taltman| 3466375285 NIL NIL) (CHEBI "29033" NIL |taltman| 3452363536 NIL NIL)) ((LIGAND-CPD "C14818" NIL |taltman| 3497979943 NIL NIL) (PUBCHEM "27284" NIL |taltman| 3466375285 NIL NIL) (CHEBI "29033" NIL |taltman| 3452363536 NIL NIL) (LIGAND-CPD "C14818" NIL |taltman| 3452529933 NIL NIL) (PUBCHEM "27284" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00023" NIL |kr| 3346617700 NIL NIL))
TRIMETHYLSULFONIUM trimethyl sulfonium ((PUBCHEM "1147" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01008" NIL |taltman| 3452530677 NIL NIL) (CHEBI "17434" NIL |taltman| 3452363522 NIL NIL) (CAS "2181-42-2")) ((CAS "2181-42-2"))
CO+2 Co2+ ((PUBCHEM "104729" NIL |taltman| 3466375285 NIL NIL) (CAS "22541-53-3" NIL |kothari| 3466263724 NIL NIL) (CHEBI "48828" NIL |taltman| 3452362979 NIL NIL) (LIGAND-CPD "C00175" NIL |kr| 3346617698 NIL NIL)) ((CAS "22541-53-3" NIL |kothari| 3466263724 NIL NIL) (PUBCHEM "104729" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "104729" NIL |taltman| 3448034169 NIL NIL) (CHEBI "48828" NIL |taltman| 3452362979 NIL NIL) (CAS "7440-48-4" NIL |kr| 3346617698 NIL NIL) (LIGAND-CPD "C00175" NIL |kr| 3346617698 NIL NIL))
PROTON H+ ((PUBCHEM "1038" NIL |taltman| 3466375285 NIL NIL) (CHEBI "15378" NIL |taltman| 3452438078 NIL NIL) (CAS "12408-02-5" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00080" NIL |kr| 3346617700 NIL NIL)) ((PUBCHEM "1038" NIL |taltman| 3466375285 NIL NIL) (CHEBI "15378" NIL |taltman| 3452438078 NIL NIL) (PUBCHEM "1038" NIL |taltman| 3448034169 NIL NIL) (CHEBI "24636") (LIGAND-CPD "C00080") (PUBCHEM "1038") (CAS "12408-02-5" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00080" NIL |kr| 3346617700 NIL NIL))
SUPER-OXIDE superoxide ((PUBCHEM "25202496" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00704" NIL |keseler| 3341779775 NIL NIL)) ((LIGAND-CPD "C00704" NIL |keseler| 3341779775 NIL NIL))
NITRATE nitrate ((PUBCHEM "943" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17632" NIL |taltman| 3452363559 NIL NIL) (LIGAND-CPD "C00244" NIL |kr| 3346617699 NIL NIL) (CAS "14797-55-8")) ((LIGAND-CPD "C00244" NIL |kr| 3346617699 NIL NIL) (CAS "14797-55-8"))
NITRITE nitrite ((PUBCHEM "946" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16301" NIL |taltman| 3452363297 NIL NIL) (CAS "7697-37-2" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C00088" NIL |kr| 3346617701 NIL NIL) (CAS "14797-65-0")) ((CAS "7697-37-2" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C00088" NIL |kr| 3346617701 NIL NIL) (CAS "14797-65-0"))
SO3 sulfite ((CAS "14265-45-3" NIL |kothari| 3472227215 NIL NIL) (PUBCHEM "1099" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17359" NIL |taltman| 3452438204 NIL NIL)) ((CHEBI "17359" NIL |taltman| 3452438204 NIL NIL) (PUBCHEM "1099" NIL |taltman| 3466375285 NIL NIL) (CAS "14265-45-3" NIL |kothari| 3472227215 NIL NIL) (LIGAND-CPD "C00094" NIL |kr| 3346617699 NIL NIL) (CAS "7782-99-2" NIL |kr| 3346617699 NIL NIL))
CPD-7046 S2- ((PUBCHEM "29109" NIL |taltman| 3466375284 NIL NIL) (CHEBI "15138" NIL |taltman| 3452363410 NIL NIL)) NIL
OH OH- ((CHEBI "16234" NIL |taltman| 3466400327 NIL NIL) (PUBCHEM "961" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01328" NIL |taltman| 3453386743 NIL NIL) (CAS "14280-30-9")) ((PUBCHEM "961" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16234" NIL |taltman| 3466400327 NIL NIL) (LIGAND-CPD "C01328" NIL |taltman| 3453386743 NIL NIL) (CHEBI "15377" NIL |taltman| 3452438148 NIL NIL) (PUBCHEM "962" NIL |taltman| 3451921010 NIL NIL) (CAS "14280-30-9"))
CL- chloride ((LIGAND-CPD "C00698" NIL |taltman| 3497979797 NIL NIL) (PUBCHEM "312" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17996" NIL |taltman| 3452363450 NIL NIL)) ((LIGAND-CPD "C00698" NIL |taltman| 3497979797 NIL NIL) (PUBCHEM "312" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "312" NIL |taltman| 3448034169 NIL NIL) (CHEBI "17996" NIL |taltman| 3452363450 NIL NIL) (LIGAND-CPD "C00115" NIL |taltman| 3452530719 NIL NIL) (LIGAND-CPD "C00115" NIL |kr| 3346617699 NIL NIL))
SULFATE sulfate ((CHEBI "16189" NIL |taltman| 3452363511 NIL NIL) (PUBCHEM "1117" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00059" NIL |kr| 3346617700 NIL NIL) (CAS "14808-79-8")) ((PUBCHEM "1117" NIL |taltman| 3448034169 NIL NIL) (CHEBI "16189" NIL |taltman| 3452363511 NIL NIL) (LIGAND-CPD "C00059" NIL |kr| 3346617700 NIL NIL) (CAS "7664-93-9" NIL |kr| 3346617700 NIL NIL) (CAS "14808-79-8"))
S2O3 thiosulfate ((PUBCHEM "439208" NIL |taltman| 3466375285 NIL NIL) (CHEBI "33539" NIL |taltman| 3452438073 NIL NIL) (LIGAND-CPD "C00320" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C00320" NIL |kr| 3346617700 NIL NIL))
FMN FMN ((CHEBI "58210" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44229199" NIL |taltman| 3466375284 NIL NIL) (|Wikipedia| "Flavin_mononucleotide" NIL |caspi| 3446498214 NIL NIL) (LIGAND-CPD "C00061" NIL |kr| 3346617699 NIL NIL) (CAS "146-17-8")) ((CHEBI "58210" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44229199" NIL |taltman| 3466375284 NIL NIL) (|Wikipedia| "Flavin_mononucleotide" NIL |caspi| 3446498214 NIL NIL) (PUBCHEM "25245661" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "710" NIL |keseler| 3372102508 NIL NIL) (PUBCHEM "710" NIL |keseler| 3372102529 NIL NIL) (LIGAND-CPD "C00061" NIL |kr| 3346617699 NIL NIL) (CAS "146-17-8"))
UBIQUINONE-8 ubiquinone-8 ((LIGAND-CPD "C17569" NIL |taltman| 3497980083 NIL NIL) (PUBCHEM "5283546" NIL |taltman| 3466375285 NIL NIL) (CAS "1339-63-5" NIL |kr| 3346617701 NIL NIL)) ((PUBCHEM "5283546" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00399" RELATED-TO |keseler| 3440190164 NIL NIL) (CAS "1339-63-5" NIL |kr| 3346617701 NIL NIL))
CPD-7158 3-demethylubiquinol-9 (PUBCHEM 25245254 NIL taltman 3466375284 NIL NIL) NIL
CPD-9957 ubiquinol-9 (PUBCHEM 45281170 NIL taltman 3497976212 NIL NIL) NIL
NADH NADH ((CAS "58-68-4" NIL |kothari| 3492444255 NIL NIL) (PUBCHEM "4349538" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "439153" NIL |keseler| 3440175849 NIL NIL) (PUBCHEM "4349538" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00004" NIL |kr| 3346617700 NIL NIL)) ((CAS "58-68-4" NIL |kothari| 3492444255 NIL NIL) (PUBCHEM "4349538" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "4349538" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "439153" NIL |keseler| 3440175849 NIL NIL) (CAS "53-84-9" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C00004" NIL |kr| 3346617700 NIL NIL))
NADPH NADPH ((CHEBI "57783" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "15983949" NIL |taltman| 3497976212 NIL NIL) (CAS "2646-71-1" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00005" NIL |kr| 3346617699 NIL NIL)) ((PUBCHEM "15983949" NIL |taltman| 3497976212 NIL NIL) (CHEBI "57783" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "15983949" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "15983949" NIL |taltman| 3451921010 NIL NIL) (CHEBI "16474") (LIGAND-CPD "C00005") (PUBCHEM "5884") (CAS "2646-71-1" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00005" NIL |kr| 3346617699 NIL NIL))
NADP NADP+ ((PUBCHEM "15938972" NIL |taltman| 3497976212 NIL NIL) (CHEBI "18009") (LIGAND-CPD "C00006" NIL |kr| 3346617700 NIL NIL) (CAS "53-59-8")) ((PUBCHEM "15938972" NIL |taltman| 3497976212 NIL NIL) (PUBCHEM "15938972" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "15938972" NIL |taltman| 3451921010 NIL NIL) (CHEBI "18009") (LIGAND-CPD "C00006") (PUBCHEM "5886") (LIGAND-CPD "C00006" NIL |kr| 3346617700 NIL NIL) (CAS "53-59-8"))
HCN hydrogen cyanide ((CHEBI "18407" NIL |taltman| 3498850556 NIL NIL) (CAS "74-90-8" NIL |kothari| 3474044779 NIL NIL) (PUBCHEM "768" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01326" NIL |kr| 3346617700 NIL NIL)) ((CHEBI "18407" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "768" NIL |taltman| 3466375284 NIL NIL) (CAS "74-90-8" NIL |kothari| 3474044779 NIL NIL) (KNAPSACK "C00007569" NIL |achi1| 3445698169 NIL NIL) (PUBCHEM "768" NIL |taltman| 3448034169 NIL NIL) (CHEBI "18407" NIL |taltman| 3452363289 NIL NIL) (CAS "57-12-5" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C01326" NIL |kr| 3346617700 NIL NIL))
NITROGEN-MOLECULE N2 ((PUBCHEM "947" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17997" NIL |taltman| 3452363495 NIL NIL) (LIGAND-CPD "C00697" NIL |kr| 3410284649 NIL NIL) (CAS "7727-37-9")) ((CAS "7727-37-9"))
AMP-GROUP AMP group (PUBCHEM 3482394 NIL taltman 3466375285 NIL NIL) NIL
DOLICHOL-GROUP dolichol-group (PUBCHEM 25201240 NIL taltman 3466375284 NIL NIL) NIL
COA-GROUP coenzyme-A-group (PUBCHEM 44237156 NIL taltman 3466375285 NIL NIL) NIL
NAD-STEM-GROUP NAD stem group (PUBCHEM 25245216 NIL taltman 3466375285 NIL NIL) NIL
FAD-STEM-GROUP FAD stem group (PUBCHEM 25245896 NIL taltman 3466375284 NIL NIL) NIL
ADP-GROUP ADP group (PUBCHEM 44237281 NIL taltman 3466375285 NIL NIL) NIL
PTERIDINE-RING pteridine-ring ((LIGAND-CPD "C07581" NIL |taltman| 3466401107 NIL NIL) (CHEBI "27601" NIL |taltman| 3466399917 NIL NIL) (PUBCHEM "1043" NIL |taltman| 3466375285 NIL NIL)) NIL
PHENANTHRENE-RING phenanthrene-ring ((LIGAND-CPD "C11422" NIL |taltman| 3466401202 NIL NIL) (CHEBI "28851" NIL |taltman| 3466400326 NIL NIL) (PUBCHEM "995" NIL |taltman| 3466375285 NIL NIL)) NIL
PYRIMIDINE-RING pyrimidine-ring ((CHEBI "16898" NIL |taltman| 3498180761 NIL NIL) (LIGAND-CPD "C00396" NIL |taltman| 3497979786 NIL NIL) (PUBCHEM "9260" NIL |taltman| 3466375285 NIL NIL)) NIL
PORPHYRIN-RING porphyrin-ring (PUBCHEM 5481287 NIL taltman 3466375285 NIL NIL) NIL
NUKED-PENTOSE-RING nt-pentose-ring (PUBCHEM 952 NIL taltman 3466375285 NIL NIL) NIL
PENTOSE-RING pentose-ring ((CHEBI "130464" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "993" NIL |taltman| 3497976212 NIL NIL)) NIL
STERONE-RING sterone-ring (PUBCHEM 1108 NIL taltman 3466375284 NIL NIL) NIL
X-PYROPHOSPHATE-GROUP x-pyrophosphate-group ((CHEBI "29262" NIL |taltman| 3466399948 NIL NIL) (PUBCHEM "6326975" NIL |taltman| 3466375285 NIL NIL)) NIL
CIS-3-HEXENAL cis-3-hexenal ((PUBCHEM "643941" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16310" NIL |kr| 3410284649 NIL NIL) (CAS "6789-80-6")) ((LIGAND-CPD "C16310" NIL |kr| 3410284649 NIL NIL) (CAS "6789-80-6"))
METHYL-GLYOXAL methylglyoxal ((PUBCHEM "880" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17158" NIL |taltman| 3452363371 NIL NIL) (LIGAND-CPD "C00546" NIL |kr| 3346617698 NIL NIL) (CAS "78-98-8")) ((LIGAND-CPD "C00546" NIL |kr| 3346617698 NIL NIL) (CAS "78-98-8"))
HEXANAL hexanal ((CHEBI "121338" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6184" NIL |taltman| 3466375284 NIL NIL) (CAS "66-25-1")) ((CAS "66-25-1"))
ACETALD acetaldehyde ((PUBCHEM "177" NIL |taltman| 3466375284 NIL NIL) (CHEBI "15343" NIL |taltman| 3452363456 NIL NIL) (LIGAND-CPD "C00084" NIL |kr| 3346617701 NIL NIL) (UM-BBD-CPD "c0160" NIL |kawakami| 3278871808 NIL NIL) (CAS "75-07-0")) ((CHEBI "15343" NIL |taltman| 3452363456 NIL NIL) (PUBCHEM "177" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00084" NIL |kr| 3346617701 NIL NIL) (UM-BBD-CPD "c0160" NIL |kawakami| 3278871808 NIL NIL) (LIGAND-CPD "c00084" NIL |kawakami| 3278871808 NIL NIL) (CAS "75-07-0"))
GERANIAL geranial ((PUBCHEM "638011" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16980" NIL |taltman| 3452438254 NIL NIL) (LIGAND-CPD "C01499" NIL |kr| 3410284649 NIL NIL) (NCI "6170") (CAS "5392-40-5")) ((PUBCHEM "638011" NIL |anuradha| 3413824397 NIL NIL) (LIGAND-CPD "C01499" NIL |kr| 3410284649 NIL NIL) (NCI "6170") (CAS "5392-40-5"))
BETA-TOCOPHEROL β-tocopherol ((CHEBI "47771" NIL |fulcher| 3466893294 NIL NIL) (PUBCHEM "6857447" NIL |fulcher| 3466893294 NIL NIL) (LIGAND-CPD "C14152" NIL |taltman| 3459474373 NIL NIL)) NIL
DELTA-TOCOPHEROL δ-tocopherol ((PUBCHEM "92094" NIL |fulcher| 3466893509 NIL NIL) (CHEBI "47772" NIL |kothari| 3453132762 NIL NIL) (LIGAND-CPD "C14151" NIL |kothari| 3453132762 NIL NIL)) NIL
ALPHA-TOCOPHEROL α-tocopherol ((CHEBI "18145" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "14985" NIL |fulcher| 3466892694 NIL NIL) (LIGAND-CPD "C02477" NIL |taltman| 3459474373 NIL NIL) (NCI "82623") (CAS "2074-53-5")) ((NCI "82623") (CAS "2074-53-5"))
GAMA-TOCOPHEROL γ-tocopherol ((CHEBI "18185" NIL |fulcher| 3466893692 NIL NIL) (PUBCHEM "92729" NIL |fulcher| 3466893692 NIL NIL) (LIGAND-CPD "C02483" NIL |taltman| 3459474373 NIL NIL)) NIL
URATE urate ((PUBCHEM "44229235" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17775" NIL |taltman| 3452438200 NIL NIL) (LIGAND-CPD "C00366" NIL |kr| 3346617698 NIL NIL) (CAS "69-93-2")) ((PUBCHEM "44229235" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "1175" NIL |taltman| 3451921010 NIL NIL) (CHEBI "17775" NIL |taltman| 3452438200 NIL NIL) (LIGAND-CPD "C00366" NIL |kr| 3346617698 NIL NIL) (CAS "69-93-2"))
COUMARYL-ALCOHOL coumaryl-alcohol ((PUBCHEM "5280535" NIL |taltman| 3466375284 NIL NIL) (CHEBI "28386" NIL |taltman| 3452363195 NIL NIL) (LIGAND-CPD "C02646" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C02646" NIL |kr| 3410284649 NIL NIL))
CPD-9896 3,4-dihydroxy-5-all-trans-nonaprenylbenzoate (PUBCHEM 25245371 NIL taltman 3466375284 NIL NIL) NIL
CPD-9898 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (PUBCHEM 25245444 NIL taltman 3466375284 NIL NIL) NIL
INDOLE-3-GLYCEROL-P (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate ((CHEBI "51793" NIL |caspi| 3498319567 NIL NIL) (PUBCHEM "25246146" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03506" NIL |kr| 3346617700 NIL NIL)) ((PUBCHEM "25246146" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03506" NIL |kr| 3346617700 NIL NIL))
CPD-6366 DIMBOA ((PUBCHEM "25200838" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04720" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD-6562 DIMBOA-Glc ((PUBCHEM "25245969" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C15768" NIL |taltman| 3459474373 NIL NIL)) ((PUBCHEM "441563" NIL |christ| 3334004896 NIL NIL))
PHENYLETHYLAMINE 2-phenylethylamine ((CHEBI "225237" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "448751" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05332" NIL |kr| 3346617701 NIL NIL) (CAS "64-04-0")) ((LIGAND-CPD "C05332" NIL |kr| 3346617701 NIL NIL) (CAS "64-04-0"))
DMPBQ 2,3-dimethyl-6-phytyl-1,4-benzoquinol ((PUBCHEM "23724602" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15883" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C15883" NIL |kr| 3410284649 NIL NIL))
MPBQ 2-methyl-6-phytyl-1,4-benzoquinol ((PUBCHEM "23724601" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15882" NIL |kr| 3410284650 NIL NIL)) ((KNAPSACK "C00007590" NIL |achi1| 3445698172 NIL NIL) (LIGAND-CPD "C15882" NIL |kr| 3410284650 NIL NIL))
CPD-9872 6-methoxy-5-methyl-2-all-trans-nonaprenyl-1,4-benzoquinol (PUBCHEM 25244499 NIL taltman 3466375284 NIL NIL) NIL
CPD-9870 2-methoxy-6-all trans-nonaprenyl-2-methoxy-1,4-benzoquinol (PUBCHEM 25245880 NIL taltman 3466375284 NIL NIL) NIL
CPD-7616 protocatechualdehyde ((PUBCHEM "8768" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16700" NIL |taltman| 3466371734 NIL NIL) (CHEBI "50205" NIL |taltman| 3452362893 NIL NIL)) ((PUBCHEM "8768" NIL |anuradha| 3400331469 NIL NIL))
CPD-674 trans-cinnamate ((PUBCHEM "5957728" NIL |taltman| 3466375284 NIL NIL) (CHEBI "15669" NIL |taltman| 3452438127 NIL NIL) (LIGAND-CPD "C00423" NIL |keseler| 3342293824 NIL NIL) (CAS "140-10-3")) ((CHEBI "15669" NIL |taltman| 3452438127 NIL NIL) (PUBCHEM "5957728" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00423" NIL |keseler| 3342293824 NIL NIL) (PUBCHEM "444539" NIL |keseler| 3342293824 NIL NIL) (CAS "140-10-3"))
CPD-4442 cis-zeatin riboside ((PUBCHEM "5354008" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16449" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD-4443 cis-zeatin riboside monophosphate ((PUBCHEM "25244062" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16441" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD-4441 cis-zeatin ((PUBCHEM "688597" NIL |taltman| 3466375284 NIL NIL) (CHEBI "46570" NIL |taltman| 3452363046 NIL NIL) (LIGAND-CPD "C15545" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C15545" NIL |kr| 3410284649 NIL NIL))
NICOTINE (S)-nicotine ((PUBCHEM "6919000" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00745" NIL |kr| 3410284649 NIL NIL) (NCI "5065")) ((NCI "5065"))
CPD-8890 betanidin quinone (PUBCHEM 25246300 NIL taltman 3466375283 NIL NIL) NIL
CPD-8653 betanidin ((PUBCHEM "25245506" NIL |taltman| 3466375284 NIL NIL) (CHEBI "3079" NIL |kothari| 3454693470 NIL NIL) (LIGAND-CPD "
C08539" NIL |kothari| 3454693470 NIL NIL)) ((PUBCHEM "6451365" NIL |hartmut| 3373040470 NIL NIL))
CPD-11775 strictosamide (PUBCHEM 45479597 NIL taltman 3497976212 NIL NIL) NIL
CPD-11852 dehydroscoulerine ((CHEBI "521121" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "10358881" NIL |taltman| 3497976212 NIL NIL)) NIL
CPDQT-416 4-methylthiobutyldesulfoglucosinolate (PUBCHEM 46173350 NIL taltman 3497976212 NIL NIL) (PUBCHEM 44237274 NIL taltman 3466375284 NIL NIL)
1-O-SINAPOYL-BETA-D-GLUCOSE 1-O-sinapoyl-β-D-glucose ((PUBCHEM "5280406" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01175" NIL |taltman| 3452530589 NIL NIL) (CHEBI "16546" NIL |taltman| 3452363520 NIL NIL)) ((PUBCHEM "5280406" NIL |hartmut| 3373665888 NIL NIL) (PUBCHEM "439429" NIL |hopkinso| 3317068667 NIL NIL) (PUBCHEM "439429" NIL |hopkinso| 3317068742 NIL NIL))
CPD-8095 3-(2-propenoic acid)-4,6-hydroxy cyclohexa-2,5-dienone (PUBCHEM 25245891 NIL taltman 3466375284 NIL NIL) NIL
CPD-8096 3,4,6-trihydroxy-cis-cinnamate (PUBCHEM 25243999 NIL taltman 3466375284 NIL NIL) NIL
CPD-8094 3-(2-propenoic acid)-o-benzoquinone (PUBCHEM 25245497 NIL taltman 3466375284 NIL NIL) NIL
CPD-676 trans-caffeate ((CHEBI "57770" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5288055" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C01197" NIL |kothari| 3454692623 NIL NIL)) ((PUBCHEM "5288055" NIL |taltman| 3497976212 NIL NIL) (CHEBI "57770" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6950105" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01197" NIL |kothari| 3454692623 NIL NIL) (CHEBI "16433" NIL |kothari| 3454692623 NIL NIL))
CPD-8098 cis-caffeate ((PUBCHEM "1549110" NIL |taltman| 3497976212 NIL NIL) (CHEBI "17395" NIL |kothari| 3454692404 NIL NIL) (LIGAND-CPD "C01481" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C01481" NIL |kr| 3410284649 NIL NIL))
CPD-8097 esculetin ((CHEBI "490095" NIL |taltman| 3498180761 NIL NIL) (|Wikipedia| "Aesculetin" NIL |kothari| 3474046937 NIL NIL) (PUBCHEM "5281416" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C09263" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C09263" NIL |kr| 3410284650 NIL NIL))
2-COUMARATE 2-coumarate ((CHEBI "11594" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "6201201" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03549" NIL |taltman| 3466371734 NIL NIL)) NIL
COUMARIN coumarin ((PUBCHEM "323" NIL |taltman| 3466375284 NIL NIL) (CHEBI "28794" NIL |taltman| 3452363451 NIL NIL) (LIGAND-CPD "C05851" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C05851" NIL |kr| 3410284650 NIL NIL) (PUBCHEM "323" NIL |Tom Walk| 3370884046 NIL NIL))
CPD-8186 umbelliferone ((PUBCHEM "5281426" NIL |Tom Walk| 3368907197 NIL NIL) (PUBCHEM "5281426" NIL |taltman| 3466375284 NIL NIL) (CHEBI "27510" NIL |taltman| 3452363540 NIL NIL) (LIGAND-CPD "C09315" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C09315" NIL |kr| 3410284650 NIL NIL) (PUBCHEM "5281426" NIL |Tom Walk| 3368907197 NIL NIL))
CPD-7418 coumarinate ((PUBCHEM "21158468" NIL |taltman| 3466375284 NIL NIL) (CHEBI "47921" NIL |taltman| 3452362993 NIL NIL) (LIGAND-CPD "C05838" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C05838" NIL |kr| 3410284650 NIL NIL))
CPD-7417 cis-coumarinic acid-β-D-glucoside (PUBCHEM 25245525 NIL taltman 3466375284 NIL NIL) NIL
CPD-10358 gallocatechin ((PUBCHEM "12309543" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C12127" NIL |taltman| 3459474374 NIL NIL)) NIL
CPD-1961 catechin ((CHEBI "15600" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "9064" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C06562" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C06562" NIL |kr| 3410284649 NIL NIL))
CPD-1962 afzelechin ((PUBCHEM "9943440" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C09320" NIL |taltman| 3466371734 NIL NIL)) NIL
CPD-10413 epiafzelechin ((PUBCHEM "443639" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C12128" NIL |taltman| 3452530073 NIL NIL)) NIL
CPD-10411 epigallocatechin ((PUBCHEM "72277" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C12136" NIL |taltman| 3452530205 NIL NIL) (CHEBI "42255" NIL |taltman| 3452363067 NIL NIL)) NIL
CPD-7630 epicatechin ((PUBCHEM "72276" NIL |taltman| 3466375284 NIL NIL) (CHEBI "28466" NIL |taltman| 3452363184 NIL NIL) (LIGAND-CPD "C09727" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C09727" NIL |kr| 3410284649 NIL NIL))
APIGENIN naringenin chalcone ((CHEBI "15413" NIL |taltman| 3498180761 NIL NIL) (CAS "73692-50-9" NIL |kothari| 3472225282 NIL NIL) (PUBCHEM "5280960" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C06561" NIL |taltman| 3452530229 NIL NIL)) ((PUBCHEM "5280960" NIL |taltman| 3451921010 NIL NIL) (CHEBI "15413" NIL |taltman| 3452363369 NIL NIL) (LIGAND-CPD "C06561" NIL |taltman| 3452530229 NIL NIL) (CAS "520-36-5"))
CPD-3041 isoliquiritigenin ((CHEBI "310312" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "638278" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C08650" NIL |kr| 3410284649 NIL NIL)) ((PUBCHEM "638278" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "638278" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C08650" NIL |kr| 3410284649 NIL NIL))
CPD-6994 eriodictyol ((PUBCHEM "25200419" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05631" NIL |taltman| 3466371734 NIL NIL)) NIL
CPD-7214 3',4',5'-pentahydroxyflavanone ((CHEBI "48026" NIL |kothari| 3498961002 NIL NIL) (LIGAND-CPD "C05911" NIL |kothari| 3498961002 NIL NIL) (PUBCHEM "25202110" NIL |taltman| 3466375284 NIL NIL)) NIL
PELARGONIDIN-CMPD pelargonidin ((CHEBI "25863" NIL |taltman| 3466399894 NIL NIL) (LIGAND-CPD "C05904" NIL |kothari| 3452953180 NIL NIL) (PUBCHEM "440832" NIL |kothari| 3452953180 NIL NIL) (CAS "134-04-3")) ((CAS "134-04-3") (KNAPSACK "C00007232" NIL |achi1| 3445698172 NIL NIL))
CPD-7090 delphinidin ((PUBCHEM "25203213" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05908" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C05908" NIL |kr| 3410284649 NIL NIL))
CPD-591 cyanidin ((PUBCHEM "25202542" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05905" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C05905" NIL |kr| 3410284650 NIL NIL))
CPD-431 apigenin ((CHEBI "58470" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25200950" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01477" NIL |kr| 3410284650 NIL NIL) (CAS "520-36-5")) ((LIGAND-CPD "C01477" NIL |kr| 3410284650 NIL NIL) (CAS "520-36-5"))
CPD1F-90 kaempferol ((CHEBI "58573" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25202062" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C05903" NIL |kr| 3410284650 NIL NIL)) ((PUBCHEM "25202062" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C05903" NIL |kr| 3410284650 NIL NIL) (PUBCHEM "25202062" NIL |taltman| 3448034169 NIL NIL))
CPD-8004 isorhamnetin ((PUBCHEM "25202413" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C10084" NIL |kr| 3410284650 NIL NIL)) ((PUBCHEM "5281654" NIL |taltman| 3451921009 NIL NIL) (LIGAND-CPD "C10084" NIL |kr| 3410284650 NIL NIL) (PUBCHEM "5281654" NIL |hartmut| 3366735894 NIL NIL))
MYRICETIN myricetin ((CHEBI "58395" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25201643" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C10107" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C10107" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "25201643" NIL |taltman| 3448034169 NIL NIL))
CPD-8605 laricitrin ((CHEBI "60006" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25203006" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C12633" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C12633" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "25203006" NIL |taltman| 3448034169 NIL NIL))
CPD-10529 3,6,7,3'-tetra-methylquercetagetin ((CHEBI "150139" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5281608" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C10030" NIL |taltman| 3452530174 NIL NIL)) ((PUBCHEM "5281608" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C10030" NIL |taltman| 3452530174 NIL NIL))
3457-TETRAHYDROXY-3-METHOXYFLAVONE 3-O-methylquercetin ((PUBCHEM "25202270" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16860" NIL |taltman| 3452363454 NIL NIL) (LIGAND-CPD "C04443" NIL |kr| 3410284649 NIL NIL)) ((PUBCHEM "5280681" NIL |taltman| 3451921009 NIL NIL) (CHEBI "16860" NIL |taltman| 3452363454 NIL NIL) (LIGAND-CPD "C04443" NIL |kr| 3410284649 NIL NIL))
CPD-10893 quercetin 3, 7, 4'-trisulphate (PUBCHEM 21676176 NIL taltman 3466375283 NIL NIL) NIL
CPD-10894 quercetin 3, 7, 3', 4'-tetrasulphate (PUBCHEM 44123499 NIL taltman 3466375283 NIL NIL) NIL
CPD-10900 isorhamnetin 3-sulphate (PUBCHEM 44123491 NIL taltman 3466375283 NIL NIL) NIL
CPD1F-437 quercetin-3-glucoside ((PUBCHEM "25203368" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C05623" NIL |kr| 3410284650 NIL NIL)) ((PUBCHEM "25203368" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C05623" NIL |kr| 3410284650 NIL NIL) (PUBCHEM "25203368" NIL |taltman| 3448034169 NIL NIL) (PUBCHEM "5280804" NIL |Tom Walk| 3370883855 NIL NIL))
CPD-8006 quercetin 7-O-glucoside ((PUBCHEM "25246010" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C03430" NIL |taltman| 3466371734 NIL NIL)) ((PUBCHEM "25246010" NIL |taltman| 3451921009 NIL NIL))
CPD-7966 delphinidin 3,5,3'-triglucoside ((PUBCHEM "25244259" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16314" NIL |kr| 3410284649 NIL NIL)) NIL
CPD-7963 delphinidin 3-O-glucosyl-5-O-caffeoylglucoside-3'-O-glucoside (PUBCHEM 25245657 NIL taltman 3466375284 NIL NIL) NIL
PELARGONIDIN-3-GLUCOSIDE-CMPD pelargonidin-3-O-β-D-glucoside ((LIGAND-CPD "C12137" NIL |kothari| 3452951144 NIL NIL) (CHEBI "31967" NIL |kothari| 3452951144 NIL NIL)) NIL
CPD-7960 delphinidin 3-O-glucosyl-5-O-caffeoylglucoside ((PUBCHEM "25244498" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16313" NIL |taltman| 3466371734 NIL NIL)) NIL
CPD1F-766 cyanidin-3-O-β-D-glucoside ((CHEBI "28426" NIL |kothari| 3502544420 NIL NIL) (PUBCHEM "25244576" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C08604" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C08604" NIL |kr| 3410284649 NIL NIL))
DIHYDROKAEMPFEROL-CMPD dihydrokaempferol ((CHEBI "57294" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244967" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00974" NIL |kr| 3410284650 NIL NIL) (CAS "480-20-6")) ((PUBCHEM "25244967" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00974" NIL |kr| 3410284650 NIL NIL) (CAS "480-20-6"))
LEUCOPELARGONIDIN-CMPD leucopelargonidin ((PUBCHEM "3286789" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03648" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD-590 leucocyanidin ((PUBCHEM "440833" NIL |taltman| 3466375284 NIL NIL) (CHEBI "11412" NIL |taltman| 3452363353 NIL NIL) (LIGAND-CPD "C05906" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C05906" NIL |kr| 3410284650 NIL NIL))
CPD-7088 leucodelphinidin ((PUBCHEM "3081374" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05909" NIL |taltman| 3466371734 NIL NIL)) NIL
ENT-COPALYL-DIPHOSPHATE ent-copalyl diphosphate ((CHEBI "58553" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25243968" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C06089" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C06089" NIL |kr| 3410284649 NIL NIL))
PHYTYL-PYROPHOSPHATE phytyl diphosphate ((CHEBI "58404" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244831" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05427" NIL |taltman| 3459474374 NIL NIL)) NIL
CPD1F-132 ent-kaurenoate ((PUBCHEM "25200785" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11874" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C11874" NIL |kr| 3410284650 NIL NIL))
CPD1F-136 ent-7-α-hydroxykaurenoate ((PUBCHEM "25200352" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11875" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C11875" NIL |kr| 3410284650 NIL NIL))
CPD1F-86 GA17 (PUBCHEM 25200552 NIL taltman 3466375284 NIL NIL) NIL
CPD-6203 GA38 (PUBCHEM 25203635 NIL taltman 3466375284 NIL NIL) NIL
CPD-204 gibberellin A8 ((PUBCHEM "25203521" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03579" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C03579" NIL |kr| 3410284649 NIL NIL))
CPD-229 GA8-catabolite ((PUBCHEM "25202462" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11870" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C11870" NIL |kr| 3410284649 NIL NIL))
CPD-251 GA29-catabolite ((PUBCHEM "25200854" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C11855" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C11855" NIL |kr| 3410284649 NIL NIL))
CPD-236 GA29 ((PUBCHEM "25200412" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C06096" NIL |taltman| 3459474374 NIL NIL)) NIL
CPD-498 GA51-catabolite ((PUBCHEM "25201559" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C11854" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C11854" NIL |kr| 3410284650 NIL NIL))
CPD-632 GA34-catabolite ((PUBCHEM "25201142" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11869" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C11869" NIL |kr| 3410284649 NIL NIL))
CPD-475 GA110 (PUBCHEM 25243953 NIL taltman 3466375284 NIL NIL) NIL
CPD-477 GA97 (PUBCHEM 25203277 NIL taltman 3466375284 NIL NIL) NIL
CPD-695 GA53 ((PUBCHEM "25203620" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C06094" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C06094" NIL |kr| 3410284649 NIL NIL))
CPD-885 GA98 (PUBCHEM 25200670 NIL taltman 3466375284 NIL NIL) NIL
CPD-638 GA44 ((CHEBI "58554" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244669" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C12308" NIL |kothari| 3474470370 NIL NIL)) ((PUBCHEM "443756" NIL |dreher| 3486145084 NIL NIL) (CHEBI "28211" NIL |dreher| 3486145084 NIL NIL) (LIGAND-CPD "C12308" NIL |dreher| 3486145084 NIL NIL))
CPD1F-96 GA19 ((CHEBI "58587" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25200921" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C02034" NIL |taltman| 3459474373 NIL NIL)) ((LIGAND-CPD "C02034" NIL |taltman| 3459474373 NIL NIL) (PUBCHEM "25200921" NIL |taltman| 3466375284 NIL NIL))
CPD-10332 GA44 (open lactone form) ((CHEBI "27531" NIL |kothari| 3474470504 NIL NIL) (PUBCHEM "25243940" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C06095" NIL |kothari| 3428779809 NIL NIL)) ((PUBCHEM "25243940" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C06095" NIL |kothari| 3428779809 NIL NIL))
CPD1F-138 GA12-aldehyde ((CHEBI "57432" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244417" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C06093" NIL |taltman| 3459474374 NIL NIL)) NIL
CPD-8239 (E)-β-farnesene ((PUBCHEM "5281517" NIL |taltman| 3466375284 NIL NIL) (CHEBI "39241" NIL |taltman| 3452437736 NIL NIL) (LIGAND-CPD "C09666" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C09666" NIL |kr| 3410284649 NIL NIL))
CPD-7726 dihydroxyphaseic acid ((PUBCHEM "25245414" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15971" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C15971" NIL |kr| 3410284649 NIL NIL))
CPD-7725 phaseic acid ((PUBCHEM "25244821" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C09707" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C09707" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "442386" NIL |tissier| 3363100102 NIL NIL))
CPD-7234 8'-hydroxyabscisate ((CHEBI "58490" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245404" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C15514" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C15514" NIL |kr| 3410284649 NIL NIL))
PHYTOENE all-trans-phytoene ((PUBCHEM "5280784" NIL |taltman| 3466375284 NIL NIL) (CHEBI "8191" NIL |taltman| 3452363287 NIL NIL) (LIGAND-CPD "C05413" NIL |kr| 3410284649 NIL NIL) (CAS "540-04-5")) ((LIGAND-CPD "C05413" NIL |kr| 3410284649 NIL NIL) (CAS "540-04-5"))
CPD-12321 15-cis-phytoene ((CHEBI "27787" NIL |taltman| 3498180761 NIL NIL) (LIGAND-CPD "C05421" NIL |taltman| 3497979516 NIL NIL) (PUBCHEM "9963391" NIL |taltman| 3497976212 NIL NIL)) NIL
CPD1F-98 all-trans-ζ-carotene ((PUBCHEM "5280788" NIL |taltman| 3466375284 NIL NIL) (CHEBI "28068" NIL |taltman| 3452363289 NIL NIL) (LIGAND-CPD "C05430" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C05430" NIL |kr| 3410284649 NIL NIL))
CPD1F-114 all-trans-lycopene ((PUBCHEM "446925" NIL |taltman| 3466375284 NIL NIL) (CHEBI "15948" NIL |taltman| 3452363570 NIL NIL) (LIGAND-CPD "C05432" NIL |kr| 3410284649 NIL NIL)) ((KNAPSACK "C00000911" NIL |achi1| 3445698164 NIL NIL) (CHEBI "15948" NIL |taltman| 3452363570 NIL NIL) (PUBCHEM "446925" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05432" NIL |kr| 3410284649 NIL NIL))
NEUROSPORENE neurosporene ((PUBCHEM "5280789" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16833" NIL |taltman| 3452363592 NIL NIL) (LIGAND-CPD "C05431" NIL |kr| 3410284650 NIL NIL)) ((PUBCHEM "5280789" NIL |caspi| 3407181095 NIL NIL) (LIGAND-CPD "C05431" NIL |kr| 3410284650 NIL NIL) (PUBCHEM "164636" NIL |hopkinso| 3319479853 NIL NIL))
CPD-12368 9'-cis-neurosporene (PUBCHEM 21606092 NIL taltman 3497976212 NIL NIL) NIL
CPD1F-129 β-carotene ((PUBCHEM "5280489" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17579" NIL |taltman| 3452363572 NIL NIL) (LIGAND-CPD "C02094" NIL |kr| 3410284649 NIL NIL) (CAS "7235-40-7")) ((LIGAND-CPD "C02094" NIL |kr| 3410284649 NIL NIL) (CAS "7235-40-7"))
CPD1F-4 C25-allenic-apo-aldehyde ((PUBCHEM "25245424" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C14044" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD1F-130 zeaxanthin ((PUBCHEM "5280899" NIL |taltman| 3466375284 NIL NIL) (CHEBI "27547" NIL |taltman| 3452363315 NIL NIL) (LIGAND-CPD "C06098" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C06098" NIL |kr| 3410284649 NIL NIL))
CPD1F-131 antheraxanthin ((PUBCHEM "25244322" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C08579" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C08579" NIL |kr| 3410284650 NIL NIL))
CPD-7409 β-cryptoxanthin ((PUBCHEM "5281235" NIL |taltman| 3466375284 NIL NIL) (CHEBI "10362" NIL |taltman| 3452363195 NIL NIL) (LIGAND-CPD "C08591" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C08591" NIL |kr| 3410284649 NIL NIL))
CPD-7424 9'-cis-neoxanthin ((PUBCHEM "5282217" NIL |taltman| 3466375284 NIL NIL) (CHEBI "35306" NIL |taltman| 3452363218 NIL NIL) (LIGAND-CPD "C13431" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C13431" NIL |kr| 3410284649 NIL NIL))
CPD-4143 sitosterol ((PUBCHEM "25201437" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01753" NIL |taltman| 3459474373 NIL NIL)) ((LIGAND-CPD "C01753" NIL |taltman| 3459474373 NIL NIL) (PUBCHEM "25201437" NIL |taltman| 3466375284 NIL NIL) (CHEBI "27693" NIL |dreher| 3505953420 NIL NIL))
CPD-4186 lathosterol ((PUBCHEM "25202178" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01189" NIL |taltman| 3459474373 NIL NIL) (CAS "80-99-9")) ((CAS "80-99-9") (PUBCHEM "65728" NIL |hopkinso| 3317145682 NIL NIL))
CPD-4887 (-)-α-terpineol ((CHEBI "128" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "443162" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11393" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C11393" NIL |kr| 3410284649 NIL NIL))
CPD-8997 (3S)-linalool ((LIGAND-CPD "C11388" NIL |taltman| 3466400989 NIL NIL) (CHEBI "28" NIL |taltman| 3466399893 NIL NIL) (PUBCHEM "443158" NIL |taltman| 3466375284 NIL NIL)) NIL
CPD-8996 (3R)-linalool ((CHEBI "98" NIL |taltman| 3498850556 NIL NIL) (LIGAND-CPD "C11389" NIL |taltman| 3466401202 NIL NIL) (PUBCHEM "67179" NIL |taltman| 3466375284 NIL NIL)) ((PUBCHEM "14718455" NIL |anuradha| 3398104229 NIL NIL))
CPD-4889 (E)-β-ocimene ((PUBCHEM "5281553" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C09873" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C09873" NIL |kr| 3410284650 NIL NIL))
CPD-4890 terpinolene ((PUBCHEM "11463" NIL |taltman| 3466375284 NIL NIL) (CHEBI "9457" NIL |taltman| 3452362912 NIL NIL) (LIGAND-CPD "C06075" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C06075" NIL |kr| 3410284649 NIL NIL))
CPD-4893 sabinene ((PUBCHEM "6429260" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16777" NIL |taltman| 3466371734 NIL NIL)) NIL
CPD-4261 1,8-cineole ((PUBCHEM "2758" NIL |taltman| 3466375284 NIL NIL) (CHEBI "27961" NIL |taltman| 3452363297 NIL NIL) (LIGAND-CPD "C09844" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C09844" NIL |kr| 3410284650 NIL NIL))
CPD-4903 (Z)-β-ocimene (PUBCHEM 5320250 NIL taltman 3466375284 NIL NIL) NIL
CPD-4888 β-myrcene ((PUBCHEM "31253" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17221" NIL |taltman| 3452363566 NIL NIL) (LIGAND-CPD "C06074" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C06074" NIL |kr| 3410284649 NIL NIL))
CPD-4891 (-)-β-pinene ((PUBCHEM "440967" NIL |taltman| 3466375284 NIL NIL) (CHEBI "28359" NIL |taltman| 3452363542 NIL NIL) (LIGAND-CPD "C06307" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C06307" NIL |kr| 3410284650 NIL NIL))
ASCORBATE L-ascorbate ((PUBCHEM "44229109" NIL |taltman| 3466375285 NIL NIL) (CHEBI "38290" NIL |caspi| 3459695710 NIL NIL) (KNAPSACK "C00001179" NIL |dreher| 3445106165 NIL NIL) (LIGAND-CPD "C00072" NIL |kr| 3346617701 NIL NIL) (CAS "50-81-7")) ((CHEBI "38290" NIL |caspi| 3459695710 NIL NIL) (PUBCHEM "44229109" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "25200374" NIL |taltman| 3451921010 NIL NIL) (KNAPSACK "C00001179" NIL |dreher| 3445106165 NIL NIL) (LIGAND-CPD "C00072" NIL |kr| 3346617701 NIL NIL) (CAS "50-81-7"))
BIOTIN biotin ((CHEBI "57586" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6560210" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00120" NIL |kaipa| 3311532642 NIL NIL) (CAS "58-85-5")) ((PUBCHEM "6560210" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00120" NIL |kaipa| 3311532642 NIL NIL) (CAS "58-85-5"))
THIAMINE thiamin ((PUBCHEM "1130" NIL |taltman| 3466375285 NIL NIL) (CHEBI "18385" NIL |taltman| 3452363541 NIL NIL) (CAS "67-03-8" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00378" NIL |kr| 3346617699 NIL NIL) (CAS "59-43-8")) ((CAS "67-03-8" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00378" NIL |kr| 3346617699 NIL NIL) (CAS "59-43-8"))
NIACINE nicotinate ((PUBCHEM "937" NIL |taltman| 3466375285 NIL NIL) (CHEBI "32544" NIL |taltman| 3452363569 NIL NIL) (LIGAND-CPD "C00253" NIL |kaipa| 3311532641 NIL NIL) (CAS "59-67-6")) ((LIGAND-CPD "C00253" NIL |kaipa| 3311532641 NIL NIL) (CAS "59-67-6"))
RIBOFLAVIN riboflavin ((PUBCHEM "122171" NIL |taltman| 3448034169 NIL NIL) (PUBCHEM "122171" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00255" NIL |kaipa| 3311532642 NIL NIL) (CAS "83-88-5")) ((PUBCHEM "6759" NIL |keseler| 3368390651 NIL NIL) (PUBCHEM "6759" NIL |keseler| 3368390603 NIL NIL) (LIGAND-CPD "C00255" NIL |kaipa| 3311532642 NIL NIL) (CAS "83-88-5"))
NIACINAMIDE nicotinamide ((CHEBI "17154" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "936" NIL |taltman| 3466375284 NIL NIL) (KNAPSACK "C00000209" NIL |achi1| 3445698172 NIL NIL) (LIGAND-CPD "C00153" NIL |kaipa| 3311532641 NIL NIL) (CAS "98-92-0")) ((LIGAND-CPD "C00153" NIL |kaipa| 3311532641 NIL NIL) (CAS "98-92-0"))
DIHYDROFOLATE 7,8-dihydrofolate monoglutamate ((PUBCHEM "45479259" NIL |taltman| 3497976212 NIL NIL) (CHEBI "15633" NIL |taltman| 3452363531 NIL NIL) (LIGAND-CPD "C00415" NIL |kr| 3346617699 NIL NIL) (CAS "4033-27-6")) ((LIGAND-CPD "C00415" NIL |kr| 3346617699 NIL NIL) (CAS "4033-27-6"))
CPD-1301 tetrahydropteroyl tri-L-glutamate ((PUBCHEM "16722112" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17420" NIL |taltman| 3452363509 NIL NIL) (LIGAND-CPD "C04144" NIL |butler| 3264184454 NIL NIL)) ((LIGAND-CPD "C04144" NIL |butler| 3264184454 NIL NIL))
THF tetrahydrofolate ((CHEBI "57453" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25790919" NIL |taltman| 3497976212 NIL NIL) (CAS "135-16-0" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C00101" NIL |kr| 3346617701 NIL NIL) (CAS "29347-89-5")) ((KNAPSACK "C00007249" NIL |achi1| 3445698173 NIL NIL) (CAS "135-16-0" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C00101" NIL |kr| 3346617701 NIL NIL) (CAS "29347-89-5"))
CPD-1302 5-methyltetrahydropteroyltri-L-glutamate ((PUBCHEM "16722111" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17614" NIL |taltman| 3452363080 NIL NIL) (LIGAND-CPD "C04489" NIL |butler| 3264184399 NIL NIL)) ((LIGAND-CPD "C04489" NIL |butler| 3264184399 NIL NIL))
5-METHYL-THF 5-methyl-tetrahydrofolate ((PUBCHEM "444412" NIL |taltman| 3466375285 NIL NIL) (CHEBI "15641" NIL |taltman| 3452363369 NIL NIL) (LIGAND-CPD "C00440" NIL |kr| 3346617699 NIL NIL) (CAS "134-35-0")) ((LIGAND-CPD "C00440" NIL |kr| 3346617699 NIL NIL) (CAS "134-35-0"))
10-FORMYL-THF 10-formyl-tetrahydrofolate ((PUBCHEM "6326742" NIL |taltman| 3466375285 NIL NIL) (CHEBI "15637" NIL |taltman| 3452363550 NIL NIL) (LIGAND-CPD "C00234" NIL |kr| 3346617701 NIL NIL) (CAS "2800-34-2")) ((CAS "692-29-5" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C00234" NIL |kr| 3346617701 NIL NIL) (CAS "2800-34-2"))
5-FORMYL-THF 5-formyl-tetrahydrofolate ((CHEBI "57457" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6560146" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03479" NIL |taltman| 3459474374 NIL NIL) (CAS "58-05-9")) ((CAS "58-05-9"))
METHYLENE-THF 5,10-methylenetetrahydropteroyl mono-L-glutamate ((CHEBI "1989" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "445117" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00143" NIL |kr| 3346617700 NIL NIL)) ((KNAPSACK "C00007250" NIL |achi1| 3445698171 NIL NIL) (KNAPKSACK "C00007250") (LIGAND-CPD "C00143" NIL |kr| 3346617700 NIL NIL))
PYRIDOXAMINE-5P pyridoxamine 5'-phosphate ((CHEBI "58451" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25246271" NIL |taltman| 3466375285 NIL NIL) (CAS "529-96-4" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00647" NIL |kr| 3346617699 NIL NIL)) ((CAS "529-96-4" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00647" NIL |kr| 3346617699 NIL NIL))
PYRIDOXAMINE pyridoxamine ((CHEBI "57761" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245492" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00534" NIL |kr| 3346617699 NIL NIL) (CAS "85-87-0")) ((LIGAND-CPD "C00534" NIL |kr| 3346617699 NIL NIL) (CAS "85-87-0"))
PYRIDOXAL_PHOSPHATE pyridoxal 5'-phosphate ((CHEBI "597326" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "644168" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00018" NIL |kr| 3346617699 NIL NIL) (CAS "54-47-7")) ((CHEBI "597326" NIL |taltman| 3498180761 NIL NIL) (METACYC "PYRIDOXAL_PHOSPHATE" NIL |dreher| 3485628913 NIL NIL) (PUBCHEM "644168" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "644168" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00018" NIL |kr| 3346617699 NIL NIL) (CAS "54-47-7"))
PYRIDOXAL pyridoxal ((PUBCHEM "1050" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17310" NIL |taltman| 3452363530 NIL NIL) (LIGAND-CPD "C00250" NIL |kr| 3346617700 NIL NIL) (CAS "66-72-8")) ((LIGAND-CPD "C00250" NIL |kr| 3346617700 NIL NIL) (CAS "66-72-8"))
PYRIDOXINE-5P pyridoxine-5'-phosphate ((CHEBI "58589" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "24794348" NIL |taltman| 3466375285 NIL NIL) (CAS "447-05-2" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C00627" NIL |kr| 3346617701 NIL NIL)) ((CAS "447-05-2" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C00627" NIL |kr| 3346617701 NIL NIL))
PYRIDOXINE pyridoxine ((PUBCHEM "1054" NIL |taltman| 3466375285 NIL NIL) (CHEBI "16709" NIL |taltman| 3452363525 NIL NIL) (LIGAND-CPD "C00314" NIL |kr| 3346617701 NIL NIL) (CAS "65-23-6")) ((LIGAND-CPD "C00314" NIL |kr| 3346617701 NIL NIL) (CAS "65-23-6"))
CPD-318 monodehydroascorbate ((PUBCHEM "25243880" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01041" NIL |taltman| 3459474374 NIL NIL) (CHEBI "16504" NIL |caspi| 3441127198 NIL NIL)) NIL
NITRIC-OXIDE nitric oxide ((PUBCHEM "945" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00533" NIL |kr| 3346617699 NIL NIL) (CAS "10102-43-9")) ((LIGAND-CPD "C00533" NIL |kr| 3346617699 NIL NIL) (CAS "10102-43-9"))
CDP-ETHANOLAMINE CDP-ethanolamine ((CHEBI "57876" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25202847" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00570" NIL |kr| 3346617700 NIL NIL) (CAS "3036-18-8")) ((LIGAND-CPD "C00570" NIL |kr| 3346617700 NIL NIL) (CAS "3036-18-8"))
CH33ADO 5'-deoxyadenosine ((PUBCHEM "439182" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17319" NIL |taltman| 3452363566 NIL NIL) (LIGAND-CPD "C05198" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C05198" NIL |kr| 3346617700 NIL NIL))
CDP-CHOLINE CDP-choline ((CHEBI "58779" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25202509" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00307" NIL |taltman| 3459474373 NIL NIL) (CAS "987-78-0")) ((KNAPSACK "C00007231" NIL |achi1| 3445698160 NIL NIL) (CAS "987-78-0"))
PHOSPHORIBOSYL-ATP phosphoribosyl-ATP ((PUBCHEM "25245261" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C02739" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C02739" NIL |kr| 3346617701 NIL NIL))
PHOSPHORIBOSYL-AMP 1-(5-phospho-D-ribosyl)-AMP ((PUBCHEM "25244977" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C02741" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C02741" NIL |kr| 3346617699 NIL NIL))
ADENYLOSUCC adenylo-succinate ((PUBCHEM "25245432" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03794" NIL |kr| 3346617699 NIL NIL) (CAS "19240-42-7")) ((LIGAND-CPD "C03794" NIL |kr| 3346617699 NIL NIL) (CAS "19240-42-7"))
CPD-663 UDP-4-dehydro-6-deoxy-D-glucose ((PUBCHEM "44237375" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "25246268" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C04089" NIL |taltman| 3459474373 NIL NIL)) NIL
GDP-D-GLUCOSE GDP-α-D-glucose ((PUBCHEM "25244464" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00394" NIL |taltman| 3459474373 NIL NIL)) NIL
DTDP-D-GLUCOSE dTDP-α-D-glucose ((PUBCHEM "25202390" NIL |taltman| 3466375284 NIL NIL) (CHEBI "57477" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245397" NIL |taltman| 3466375285 NIL NIL) (CAS "2009-24-7" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00842" NIL |kr| 3346617699 NIL NIL)) ((CAS "2009-24-7" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00842" NIL |kr| 3346617699 NIL NIL))
ADP-D-GLUCOSE ADP-α-D-glucose ((PUBCHEM "25244286" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00498" NIL |kr| 3346617701 NIL NIL) (CAS "2140-58-1")) ((LIGAND-CPD "C00498" NIL |kr| 3346617701 NIL NIL) (CAS "2140-58-1"))
UDP-D-GALACTURONATE UDP-D-galacturonate ((CHEBI "57635" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244587" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00617" NIL |taltman| 3459474373 NIL NIL)) ((PUBCHEM "15592253" NIL |taltman| 3448034169 NIL NIL))
OH-MYRISTOYL UDP-2,3-bis[O-(3R)-3-hydroxymyristoyl]-α-D-glucosamine ((PUBCHEM "25246209" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04652" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C04652" NIL |kr| 3346617699 NIL NIL))
UDP-SULFOQUINOVOSE UDP-α-D-sulfoquinovopyranose ((CHEBI "60009" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25200933" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11521" NIL |taltman| 3459474374 NIL NIL)) NIL
UDP-OHMYR-ACETYLGLUCOSAMINE UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine ((PUBCHEM "25244942" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04738" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C04738" NIL |kr| 3346617700 NIL NIL))
DTDP-RHAMNOSE dTDP-α-L-rhamnose ((CHEBI "57510" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245982" NIL |taltman| 3497976212 NIL NIL) (CAS "572-96-3" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C03319" NIL |kr| 3346617699 NIL NIL)) ((PUBCHEM "25245982" NIL |taltman| 3451921010 NIL NIL) (CAS "572-96-3" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C03319" NIL |kr| 3346617699 NIL NIL))
2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol ((PUBCHEM "25244700" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11436" NIL |taltman| 3459474374 NIL NIL)) NIL
4-CYTIDINE-5-DIPHOSPHO-2-C 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol ((PUBCHEM "25244630" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11435" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C11435" NIL |kr| 3346617701 NIL NIL))
GDP-L-GALACTOSE GDP-L-galactose ((PUBCHEM "25200538" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C02280" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C02280" NIL |kr| 3410284650 NIL NIL))
GUANOSINE_DIPHOSPHATE_FUCOSE GDP-L-fucose ((PUBCHEM "25244478" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00325" NIL |kr| 3346617698 NIL NIL) (CAS "15839-70-0")) ((LIGAND-CPD "C00325" NIL |kr| 3346617698 NIL NIL) (CAS "15839-70-0"))
GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE GDP-4-dehydro-6-deoxy-D-mannose ((PUBCHEM "25243979" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01222" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C01222" NIL |kr| 3346617699 NIL NIL))
GDP-MANNOSE GDP-α-D-mannose ((PUBCHEM "25246025" NIL |taltman| 3466375284 NIL NIL) (CAS "18441-12-8") (CAS "3123-67-9") (LIGAND-CPD "C00096" NIL |kr| 3346617698 NIL NIL)) ((CAS "3123-67-9") (CAS "18441-12-8") (LIGAND-CPD "C00096" NIL |kr| 3346617698 NIL NIL))
ADENOSINE_DIPHOSPHATE_RIBOSE ADP-ribose ((PUBCHEM "25243947" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00301" NIL |kr| 3346617699 NIL NIL) (CAS "20762-30-5")) ((LIGAND-CPD "C00301" NIL |kr| 3346617699 NIL NIL) (CAS "20762-30-5"))
DUMP dUMP ((CHEBI "246422" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "18601100" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00365" NIL |kr| 3346617699 NIL NIL) (CAS "964-26-1")) ((LIGAND-CPD "C00365" NIL |kr| 3346617699 NIL NIL) (CAS "964-26-1"))
DUTP dUTP ((PUBCHEM "25244408" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00460" NIL |kr| 3346617700 NIL NIL) (CAS "1173-82-6")) ((LIGAND-CPD "C00460" NIL |kr| 3346617700 NIL NIL) (CAS "1173-82-6"))
DCMP dCMP ((CHEBI "57566" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "7058169" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00239" NIL |sreddy| 3295805069 NIL NIL) (CAS "1032-65-1")) ((LIGAND-CPD "C00239" NIL |sreddy| 3295805069 NIL NIL) (CAS "1032-65-1"))
CMP CMP ((CHEBI "60377" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "7058165" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00055" NIL |kr| 3346617699 NIL NIL) (CAS "63-37-6")) ((PUBCHEM "7058165" NIL |taltman| 3466375285 NIL NIL) (CHEBI "60377" NIL |taltman| 3498180761 NIL NIL) (CAS "84-52-6" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00055" NIL |kr| 3346617699 NIL NIL) (CAS "63-37-6") (PUBCHEM "6131" NIL |hopkinso| 3317062869 NIL NIL))
DUDP dUDP ((PUBCHEM "25246037" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01346" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C01346" NIL |kr| 3346617700 NIL NIL))
DCTP dCTP ((PUBCHEM "25244665" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00458" NIL |kr| 3346617700 NIL NIL) (CAS "2056-98-6")) ((LIGAND-CPD "C00458" NIL |kr| 3346617700 NIL NIL) (CAS "2056-98-6"))
DCDP dCDP ((CHEBI "58593" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "21122964" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00705" NIL |kr| 3346617700 NIL NIL) (CAS "800-73-7")) ((LIGAND-CPD "C00705" NIL |kr| 3346617700 NIL NIL) (CAS "800-73-7"))
DEOXYURIDINE deoxyuridine ((CHEBI "379620" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "13712" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00526" NIL |kaipa| 3311532641 NIL NIL) (CAS "951-78-0")) ((LIGAND-CPD "C00526" NIL |kaipa| 3311532641 NIL NIL) (CAS "951-78-0"))
THYMIDINE thymidine ((CHEBI "100595" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "1134" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00214" NIL |kaipa| 3311532642 NIL NIL) (CAS "50-89-5")) ((LIGAND-CPD "C00214" NIL |kaipa| 3311532642 NIL NIL) (CAS "50-89-5"))
UTP UTP ((PUBCHEM "7058168" NIL |taltman| 3497976212 NIL NIL) (CHEBI "46398" NIL |taltman| 3452363077 NIL NIL) (LIGAND-CPD "C00075" NIL |kr| 3346617700 NIL NIL) (CAS "63-39-8")) ((PUBCHEM "7058168" NIL |taltman| 3497976212 NIL NIL) (PUBCHEM "7058168" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "7058168" NIL |taltman| 3451921010 NIL NIL) (CHEBI "46398" NIL |taltman| 3452363077 NIL NIL) (PUBCHEM "6133" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00075" NIL |kr| 3346617700 NIL NIL) (CAS "63-39-8"))
DATP dATP ((CHEBI "16284" NIL |taltman| 3499618762 NIL NIL) (PUBCHEM "25320183" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00131" NIL |kr| 3346617700 NIL NIL) (CAS "1927-31-7")) ((PUBCHEM "25320183" NIL |taltman| 3497976212 NIL NIL) (CHEBI "16284" NIL |taltman| 3499618762 NIL NIL) (CHEBI "16284" NIL |kothari| 3454770373 NIL NIL) (PUBCHEM "25244444" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00131" NIL |kr| 3346617700 NIL NIL) (CAS "1927-31-7"))
DADP dADP ((CHEBI "57667" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "21125569" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00206" NIL |kr| 3346617700 NIL NIL) (CAS "2793-06-8")) ((LIGAND-CPD "C00206" NIL |kr| 3346617700 NIL NIL) (CAS "2793-06-8"))
DGDP dGDP ((CHEBI "58595" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245673" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00361" NIL |kr| 3346617700 NIL NIL) (CAS "102783-74-4")) ((LIGAND-CPD "C00361" NIL |kr| 3346617700 NIL NIL) (CAS "102783-74-4"))
ATP ATP ((CHEBI "15422" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5957" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00002" NIL |kr| 3346617701 NIL NIL) (CAS "56-65-5")) ((CHEBI "15422" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "9870745" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "9870745" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "5957" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00002" NIL |kr| 3346617701 NIL NIL) (CAS "56-65-5"))
GTP GTP ((PUBCHEM "7058167" NIL |taltman| 3466375285 NIL NIL) (CHEBI "37565" NIL |taltman| 3452363175 NIL NIL) (LIGAND-CPD "c00044" NIL |kawakami| 3293574949 NIL NIL) (LIGAND-CPD "C00044" NIL |kr| 3346617700 NIL NIL) (CAS "86-01-1")) ((PUBCHEM "7058167" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00007223" NIL |achi1| 3445698169 NIL NIL) (PUBCHEM "7058167" NIL |taltman| 3451921010 NIL NIL) (CHEBI "37565" NIL |taltman| 3452363175 NIL NIL) (LIGAND-CPD "C00044" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "c00044" NIL |kawakami| 3293574949 NIL NIL) (CAS "86-01-1"))
D-RIBULOSE-15-P2 D-ribulose-1,5-bisphosphate ((PUBCHEM "4337391" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01182" NIL |kr| 3410284649 NIL NIL) (CAS "14689-84-0")) ((LIGAND-CPD "C01182" NIL |kr| 3410284649 NIL NIL) (KNAPKSACK "C00007293") (CAS "14689-84-0"))
SUCROSE-6P sucrose-6-phosphate ((CHEBI "57723" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245080" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C02591" NIL |keseler| 3341779923 NIL NIL)) ((PUBCHEM "439762" NIL |keseler| 3342803239 NIL NIL) (LIGAND-CPD "C02591" NIL |keseler| 3341779923 NIL NIL))
GAP D-glyceraldehyde-3-phosphate ((CHEBI "59776" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "24794350" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "24794350" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00661" NIL |kr| 3346617700 NIL NIL) (CAS "142-10-9")) ((PUBCHEM "24794350" NIL |taltman| 3451921010 NIL NIL) (CHEBI "59776" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "24794350" NIL |taltman| 3466375285 NIL NIL) (KNAPKSACK "C00007564") (LIGAND-CPD "C00661" NIL |kr| 3346617700 NIL NIL) (CAS "142-10-9"))
CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P 1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-phosphate ((PUBCHEM "25244176" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01302" NIL |kr| 3346617701 NIL NIL)) ((LIGAND-CPD "C01302" NIL |kr| 3346617701 NIL NIL))
ERYTHROSE-4P D-erythrose-4-phosphate ((PUBCHEM "25244251" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00279" NIL |kr| 3346617699 NIL NIL) (CAS "585-18-2")) ((PUBCHEM "25244251" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "122357" NIL |caspi| 3370791977 NIL NIL) (LIGAND-CPD "C00279" NIL |kr| 3346617699 NIL NIL) (CAS "585-18-2"))
D-SEDOHEPTULOSE-7-P D-sedoheptulose-7-phosphate ((PUBCHEM "25243964" NIL |taltman| 3466375285 NIL NIL) (CHEBI "15721" NIL |keseler| 3409491791 NIL NIL) (LIGAND-CPD "C00281" NIL |kr| 3346617700 NIL NIL) (CAS "2646-35-7")) ((CHEBI "15721" NIL |keseler| 3409491791 NIL NIL) (PUBCHEM "165007" NIL |caspi| 3370792570 NIL NIL) (LIGAND-CPD "C00281" NIL |kr| 3346617700 NIL NIL) (CAS "2646-35-7"))
D-SEDOHEPTULOSE-1-7-P2 D-sedoheptulose-1,7-bisphosphate ((PUBCHEM "25244771" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00447" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C00447" NIL |kr| 3410284650 NIL NIL))
D-RIBULOSE-1-P D-ribulose-1-phosphate (PUBCHEM 22027282 NIL taltman 3466375285 NIL NIL) NIL
RIBOSE-1P α-D-ribose-1-phosphate ((PUBCHEM "44229232" NIL |taltman| 3466375285 NIL NIL) (CHEBI "16300" NIL |kothari| 3453035738 NIL NIL) (LIGAND-CPD "C00620" NIL |kothari| 3453035103 NIL NIL) (CAS "58459-37-3" NIL |kr| 3346617699 NIL NIL) (CAS "14075-00-4")) ((PUBCHEM "123732" NIL |kothari| 3453035103 NIL NIL) (LIGAND-CPD "C00620" NIL |kothari| 3453035103 NIL NIL) (CHEBI "16300" NIL |kothari| 3453035738 NIL NIL) (CAS "58459-37-3" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00442" NIL |kr| 3346617699 NIL NIL) (CAS "14075-00-4"))
CPDQT-4 α-L-galactose-1-phosphate ((CHEBI "60389" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "46173227" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C15926" NIL |kothari| 3456245811 NIL NIL)) NIL
CPD-448 β-D-glucose 1-phosphate ((CHEBI "57684" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244208" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00663" NIL |taltman| 3459474373 NIL NIL)) ((PUBCHEM "25244208" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00663" NIL |taltman| 3459474373 NIL NIL))
MANNOSE-1P α-D-mannose 1-phosphate ((CHEBI "58409" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245607" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00636" NIL |kothari| 3453036289 NIL NIL) (CAS "27251-84-9")) ((LIGAND-CPD "C03812" NIL |kr| 3346617700 NIL NIL) (CAS "27251-84-9"))
N-ACETYL-D-GLUCOSAMINE-1-P N-acetyl-α-D-glucosamine 1-phosphate ((CHEBI "57776" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25243937" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04256" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C04256" NIL |kr| 3346617699 NIL NIL))
ARABINOSE-5P D-arabinose 5-phosphate ((PUBCHEM "23615240" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C01112" NIL |kr| 3346617700 NIL NIL) (CAS "13137-52-5")) ((PUBCHEM "21880554" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C01112" NIL |kr| 3346617700 NIL NIL) (CAS "13137-52-5"))
DEOXYXYLULOSE-5P 1-deoxy-D-xylulose 5-phosphate ((CHEBI "57792" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "23420274" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11437" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C11437" NIL |kr| 3346617699 NIL NIL))
XYLULOSE-5-PHOSPHATE D-xylulose-5-phosphate ((CHEBI "57737" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5459820" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00231" NIL |kr| 3346617701 NIL NIL) (CAS "60802-29-1")) ((PUBCHEM "439190" NIL |caspi| 3370792140 NIL NIL) (LIGAND-CPD "C00231" NIL |kr| 3346617701 NIL NIL) (CAS "60802-29-1"))
RIBOSE-5P D-ribose-5-phosphate ((PUBCHEM "24794349" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00117" NIL |keseler| 3342801272 NIL NIL) (CAS "4300-28-1" NIL |keseler| 3342801272 NIL NIL)) ((PUBCHEM "24794349" NIL |taltman| 3497976212 NIL NIL) (PUBCHEM "25244540" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "77982" NIL |caspi| 3370792487 NIL NIL) (PUBCHEM "439167" NIL |keseler| 3342801272 NIL NIL) (LIGAND-CPD "C00117" NIL |keseler| 3342801272 NIL NIL) (CAS "4300-28-1" NIL |keseler| 3342801272 NIL NIL))
RIBULOSE-5P D-ribulose-5-phosphate ((CHEBI "58121" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "21144996" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00199" NIL |kr| 3346617700 NIL NIL) (CAS "4151-19-3")) ((PUBCHEM "21144996" NIL |taltman| 3497976212 NIL NIL) (CHEBI "58121" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "439184" NIL |caspi| 3370791278 NIL NIL) (LIGAND-CPD "C00199" NIL |kr| 3346617700 NIL NIL) (CAS "4151-19-3"))
MANNOSE-6P D-mannose 6-phosphate ((CHEBI "60332" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244236" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00275" NIL |kr| 3346617700 NIL NIL) (CAS "3672-15-9")) ((LIGAND-CPD "C00275" NIL |kr| 3346617700 NIL NIL) (CAS "3672-15-9"))
FRUCTOSE-16-DIPHOSPHATE fructose-1,6-bisphosphate ((PUBCHEM "5460765" NIL |taltman| 3466375284 NIL NIL) (CHEBI "32966" NIL |taltman| 3452363378 NIL NIL) (|Wikipedia| "Fructose_1,6-bisphosphate" NIL |caspi| 3410109048 NIL NIL) (LIGAND-CPD "C00354" NIL |kr| 3346617698 NIL NIL) (CAS "488-69-7")) ((KNAPSACK "C00007386" NIL |achi1| 3445698167 NIL NIL) (CHEBI "32966" NIL |taltman| 3452363378 NIL NIL) (PUBCHEM "5460765" NIL |taltman| 3466375284 NIL NIL) (KNAPKSACK "C00007386") (PUBCHEM "718" NIL |caspi| 3409942613 NIL NIL) (|Wikipedia| "Fructose_1,6-bisphosphate" NIL |caspi| 3410109048 NIL NIL) (LIGAND-CPD "C00354" NIL |kr| 3346617698 NIL NIL) (CAS "488-69-7"))
FRUCTOSE-6P D-fructose-6-phosphate ((CHEBI "57634" NIL |taltman| 3498180761 NIL NIL) (KNAPSACK "C00007305") (PUBCHEM "21604863" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00085" NIL |kr| 3346617701 NIL NIL) (CAS "643-13-0")) ((KNAPSACK "C00007305") (CHEBI "57634" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "21604863" NIL |taltman| 3466375285 NIL NIL) (KNAPKSACK "C00007305") (LIGAND-CPD "C00085" NIL |kr| 3346617701 NIL NIL) (CAS "643-13-0"))
GLC-6-P β-D-glucose-6-phosphate ((CHEBI "17719" NIL |kothari| 3466529168 NIL NIL) (PUBCHEM "23421199" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01172" NIL |keseler| 3349792009 NIL NIL)) ((PUBCHEM "23421199" NIL |taltman| 3466375285 NIL NIL) (CHEBI "17719" NIL |kothari| 3466529168 NIL NIL) (LIGAND-CPD "C00092" NIL |kaipa| 3311532634 NIL NIL) (LIGAND "C00092" NIL |kaipa| 3311532634 NIL NIL) (CAS "56-73-5") (LIGAND-CPD "C01172" NIL |keseler| 3349792009 NIL NIL))
ALPHA-GLC-6-P α-D-glucose 6-phosphate ((CHEBI "17665" NIL |kothari| 3492874257 NIL NIL) (PUBCHEM "21604864" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00668" NIL |kr| 3345587433 NIL NIL)) ((LIGAND "C00092" NIL |kaipa| 3311532634 NIL NIL) (CAS "56-73-5") (CAS "56-73-5" NIL |keseler| 3349791794 NIL NIL) (LIGAND-CPD "C00668" NIL |kr| 3345587433 NIL NIL))
TREHALOSE-6P trehalose 6-phosphate ((CHEBI "58429" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25246105" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00689" NIL |kr| 3346617701 NIL NIL) (CAS "4484-88-2")) ((LIGAND-CPD "C00689" NIL |kr| 3346617701 NIL NIL) (CAS "4484-88-2"))
N-ACETYL-D-GLUCOSAMINE-6-P N-acetyl-D-glucosamine-6-phosphate ((CHEBI "57513" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25243963" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00357" NIL |kr| 3346617701 NIL NIL) (CAS "102029-88-9")) ((LIGAND-CPD "C00357" NIL |kr| 3346617701 NIL NIL) (CAS "102029-88-9"))
CPD-4622 trans-zeatin-O-glucoside-7-N-glucoside (PUBCHEM 25245008 NIL taltman 3466375284 NIL NIL) NIL
CPD-4618 cis-zeatin-7-N-glucoside (PUBCHEM 25244153 NIL taltman 3466375284 NIL NIL) NIL
CPD-4612 trans-zeatin-7-N-glucoside (PUBCHEM 25245759 NIL taltman 3466375284 NIL NIL) NIL
CPD-4619 cis-zeatin-9-N-glucoside (PUBCHEM 25244554 NIL taltman 3466375284 NIL NIL) NIL
CPD-4613 trans-zeatin-9-N-glucoside (PUBCHEM 25243916 NIL taltman 3466375284 NIL NIL) NIL
CPD-4620 cis-zeatin-O-glucoside ((CHEBI "29043" NIL |kothari| 3505491629 NIL NIL) (PUBCHEM "5461146" NIL |taltman| 3466375284 NIL NIL)) NIL
CPD-4614 trans-zeatin-O-glucoside ((CHEBI "38266" NIL |kothari| 3472222724 NIL NIL) (PUBCHEM "25244165" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03423" NIL |taltman| 3466371734 NIL NIL)) NIL
CPD-4617 dihydrozeatin-O-glucoside ((PUBCHEM "25200430" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16448" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD-4621 dihydrozeatin-9-N-glucoside-O-glucoside (PUBCHEM 25201670 NIL taltman 3466375284 NIL NIL) NIL
CPD-4616 dihydrozeatin-9-N-glucoside (PUBCHEM 25201996 NIL taltman 3466375284 NIL NIL) NIL
CPD-10277 lotaustralin ((PUBCHEM "25245166" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C08334" NIL |taltman| 3459474374 NIL NIL)) NIL
CPD-458 galactinol ((PUBCHEM "25202439" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01235" NIL |taltman| 3459474373 NIL NIL)) NIL
NICOTINAMIDE_RIBOSE nicotinamide riboside ((CHEBI "15927" NIL |kothari| 3494272638 NIL NIL) (LIGAND-CPD "C03150" NIL |kothari| 3494272638 NIL NIL) (PUBCHEM "940" NIL |taltman| 3466375285 NIL NIL) (CAS "1341-23-7")) ((CAS "1341-23-7"))
GLC β-D-glucose ((CAS "50-99-7" NIL |taltman| 3458663425 NIL NIL) (CHEBI "15903" NIL |taltman| 3458663425 NIL NIL) (LIGAND-CPD "C00221" NIL |taltman| 3458663425 NIL NIL) (PUBCHEM "64689" NIL |taltman| 3458663073 NIL NIL)) ((PUBCHEM "64689" NIL |taltman| 3458663073 NIL NIL) (LIGAND-CPD "C00221" NIL |taltman| 3458663425 NIL NIL) (CHEBI "15903" NIL |taltman| 3458663425 NIL NIL) (CAS "50-99-7" NIL |taltman| 3458663425 NIL NIL) (PUBCHEM "64689" NIL |taltman| 3448034169 NIL NIL) (CHEBI "15903" NIL |taltman| 3452363480 NIL NIL) (LIGAND-CPD "C00221" NIL |taltman| 3452530714 NIL NIL) (PUBCHEM "64689" NIL |keseler| 3367928962 NIL NIL) (LIGAND-CPD "C00031" NIL |kr| 3346617700 NIL NIL) (CAS "50-99-7"))
ALPHA-GLUCOSE α-D-glucose ((CHEBI "17925" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "79025" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00267" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C00267" NIL |kr| 3410284650 NIL NIL))
GALACTOSE β-D-galactose ((CAS "7296-64-2" NIL |kothari| 3466272736 NIL NIL) (LIGAND-CPD "C00962" NIL |taltman| 3452530679 NIL NIL) (CHEBI "28034" NIL |taltman| 3452437912 NIL NIL) (PUBCHEM "439353" NIL |taltman| 3448034169 NIL NIL)) ((CAS "33419-42-0" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C01582" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00124" NIL |kaipa| 3311532622 NIL NIL) (CAS "59-23-4"))
D-XYLULOSE D-xylulose ((CHEBI "17140" NIL |taltman| 3452363529 NIL NIL) (PUBCHEM "5289590" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00310" NIL |kr| 3346617699 NIL NIL) (CAS "551-84-8")) ((LIGAND-CPD "C00310" NIL |kr| 3346617699 NIL NIL) (CAS "551-84-8"))
XYLOSE α-D-xylose ((LIGAND-CPD "C01394" NIL |taltman| 3452530661 NIL NIL) (CHEBI "28518" NIL |taltman| 3452363571 NIL NIL) (PUBCHEM "6027" NIL |taltman| 3448034169 NIL NIL) (CAS "58-86-6")) ((PUBCHEM "6027" NIL |qwan| 3372090813 NIL NIL) (LIGAND-CPD "C00181" NIL |kaipa| 3311532622 NIL NIL) (CAS "58-86-6"))
MELIBIOSE melibiose ((PUBCHEM "11458" NIL |taltman| 3448034169 NIL NIL) (CAS "585-99-9" NIL |hopkinso| 3311806067 NIL NIL) (LIGAND-CPD "C05402" NIL |hopkinso| 3311806067 NIL NIL)) ((CAS "585-99-9" NIL |hopkinso| 3311806067 NIL NIL) (LIGAND-CPD "C05402" NIL |hopkinso| 3311806067 NIL NIL))
TREHALOSE trehalose ((PUBCHEM "7427" NIL |taltman| 3497976212 NIL NIL) (CHEBI "16551" NIL |taltman| 3452363520 NIL NIL) (LIGAND-CPD "C01083" NIL |kr| 3346617701 NIL NIL) (CAS "99-20-7")) ((LIGAND-CPD "C01083" NIL |kr| 3346617701 NIL NIL) (CAS "99-20-7"))
ALPHA-MALTOSE α-maltose ((LIGAND-CPD "C00897" NIL |taltman| 3452530681 NIL NIL) (CHEBI "18167" NIL |taltman| 3452363547 NIL NIL) (PUBCHEM "439341" NIL |taltman| 3448034169 NIL NIL)) NIL
SORBITOL D-sorbitol ((CHEBI "17924" NIL |taltman| 3452363480 NIL NIL) (PUBCHEM "5780" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00794" NIL |kaipa| 3311532622 NIL NIL) (CAS "50-70-4")) ((LIGAND-CPD "C00794" NIL |kaipa| 3311532622 NIL NIL) (CAS "50-70-4") (PUBCHEM "5780" NIL |keseler| 3342457714 NIL NIL))
GLYCEROL glycerol ((PUBCHEM "753" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17754" NIL |taltman| 3452363527 NIL NIL) (LIGAND-CPD "C00116" NIL |kaipa| 3311532622 NIL NIL) (CAS "56-81-5")) ((LIGAND-CPD "C00116" NIL |kaipa| 3311532622 NIL NIL) (CAS "56-81-5"))
MANNITOL D-mannitol ((CHEBI "16899" NIL |taltman| 3452363371 NIL NIL) (PUBCHEM "6251" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00392" NIL |kaipa| 3311532622 NIL NIL) (CAS "69-65-8")) ((LIGAND-CPD "C00392" NIL |kaipa| 3311532622 NIL NIL) (CAS "69-65-8"))
6-KESTOSE 6-kestotriose ((PUBCHEM "9914062" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "G02540" NIL |taltman| 3466371734 NIL NIL)) NIL
6G-KESTOTETRAOSE 6G-kestotriose (PUBCHEM 14282017 NIL taltman 3497976212 NIL NIL) NIL
CPD-2281 6G,6-kestotetraose (PUBCHEM 25202930 NIL taltman 3466375284 NIL NIL) NIL
NYSTOSE 1,1-kestotetraose (PUBCHEM 166775 NIL taltman 3448034169 NIL NIL) NIL
1-KESTOTRIOSE 1-kestotriose ((LIGAND-CPD "C03661" NIL |taltman| 3452530452 NIL NIL) (PUBCHEM "440080" NIL |taltman| 3448034169 NIL NIL)) NIL
BIFURCOSE 1,6-kestotetraose (PUBCHEM 25202989 NIL taltman 3497976212 NIL NIL) NIL
GLC-D-LACTONE D-glucono-1,5-lactone ((CHEBI "16217" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "7027" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00198" NIL |kothari| 3452344563 NIL NIL) (CAS "90-80-2")) ((CAS "90-80-2"))
CPD-504 1-monoacylglycerol (CHEBI 35759 NIL kothari 3505490614 NIL NIL) NIL
CPD-409 2-monoacylglycerol ((LIGAND-CPD "C02112" NIL |kothari| 3494208011 NIL NIL) (CHEBI "17389" NIL |kothari| 3494206872 NIL NIL)) NIL
SULFOQUINOVOSYLDIACYLGLYCEROL sulfoquinovosyldiacylglycerol ((PUBCHEM "25244599" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C13508" NIL |taltman| 3466371734 NIL NIL)) ((PUBCHEM "448048" NIL |caspi| 3367847312 NIL NIL))
CPD-8083 1-18:2-2-18:3-digalactosyldiacylglycerol (PUBCHEM 25244865 NIL taltman 3466375284 NIL NIL) NIL
CPD-8084 1-18:3-2-18:2-digalactosyldiacylglycerol (PUBCHEM 25246121 NIL taltman 3466375283 NIL NIL) NIL
CPD-8081 1-18:3-2-18:3-digalactosyldiacylglycerol (PUBCHEM 25244265 NIL taltman 3466375284 NIL NIL) NIL
CPD-8160 1-18:1-2-16:0-digalactosyldiacylglycerol (PUBCHEM 25244086 NIL taltman 3466375284 NIL NIL) NIL
CPD-8163 1-16:0-2-18:2-digalactosyldiacylglycerol (PUBCHEM 25245696 NIL taltman 3466375284 NIL NIL) NIL
CPD-8161 1-18:2-2-16:0-digalactosyldiacylglycerol (PUBCHEM 25245181 NIL taltman 3466375284 NIL NIL) NIL
CPD-8164 1-16:0-2-18:3-digalactosyldiacylglycerol (PUBCHEM 25246049 NIL taltman 3466375283 NIL NIL) NIL
CPD-8162 1-18:3-2-16:0-digalactosyldiacylglycerol (PUBCHEM 25245533 NIL taltman 3466375284 NIL NIL) NIL
CPD-8082 1-18:2-2-18:2-digalactosyldiacylglycerol (PUBCHEM 25244533 NIL taltman 3466375284 NIL NIL) NIL
CPD-8165 1-18:2-2-18:2-monogalactosyldiacylglycerol (PUBCHEM 25244185 NIL taltman 3466375284 NIL NIL) NIL
CPD-8167 1-18:3-2-18:2-monogalactosyldiacylglycerol (PUBCHEM 25244924 NIL taltman 3466375284 NIL NIL) NIL
CPD-8166 1-18:2-2-18:3-monogalactosyldiacylglycerol (PUBCHEM 25244660 NIL taltman 3466375284 NIL NIL) NIL
CPD-8168 1-18:3-2-18:3-monogalactosyldiacylglycerol ((PUBCHEM "5771744" NIL |Tom Walk| 3370127649 NIL NIL) (PUBCHEM "45479620" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C13871" NIL |taltman| 3466371734 NIL NIL)) ((PUBCHEM "5771744" NIL |Tom Walk| 3370127649 NIL NIL))
CPD-2187 1-18:1-2-16:0-monogalactosyldiacylglycerol (PUBCHEM 25245178 NIL taltman 3466375284 NIL NIL) NIL
CPD-8073 1-18:2-2-16:0-monogalactosyldiacylglycerol (PUBCHEM 25245596 NIL taltman 3466375284 NIL NIL) NIL
CPD-2188 1-18:1-2-16:1-monogalactosyldiacylglycerol (PUBCHEM 25244869 NIL taltman 3466375284 NIL NIL) NIL
CPD-8075 1-18:2-2-16:1-monogalactosyldiacylglycerol (PUBCHEM 25246305 NIL taltman 3466375283 NIL NIL) NIL
CPD-8074 1-18:3-2-16:0-monogalactosyldiacylglycerol (PUBCHEM 25245971 NIL taltman 3466375283 NIL NIL) NIL
CPD-8077 1-18:1-2-16:2-monogalactosyldiacylglycerol (PUBCHEM 25244688 NIL taltman 3466375284 NIL NIL) NIL
CPD-2189 1-18:2-2-16:2-monogalactosyldiacylglycerol (PUBCHEM 25245726 NIL taltman 3466375284 NIL NIL) NIL
CPD-8076 1-18:3-2-16:1-monogalactosyldiacylglycerol (PUBCHEM 25244152 NIL taltman 3466375284 NIL NIL) NIL
CPD-8079 1-18:1-2-16:3-monogalactosyldiacylglycerol (PUBCHEM 25245206 NIL taltman 3466375284 NIL NIL) NIL
CPD-8080 1-18:2-2-16:3-monogalactosyldiacylglycerol (PUBCHEM 25244323 NIL taltman 3466375284 NIL NIL) NIL
CPD-8078 1-18:3-2-16:2-monogalactosyldiacylglycerol (PUBCHEM 25244837 NIL taltman 3466375284 NIL NIL) NIL
CPD-2190 1-18:3-2-16:3-monogalactosyldiacylglycerol (PUBCHEM 21775167 NIL taltman 3466375284 NIL NIL) NIL
BENZOYLCOA benzoyl-CoA ((CHEBI "57369" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "45266596" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00512" NIL |kothari| 3458489017 NIL NIL) (CAS "102185-37-5")) ((PUBCHEM "45266596" NIL |taltman| 3497976212 NIL NIL) (CHEBI "57369" NIL |taltman| 3498180761 NIL NIL) (LIGAND-CPD "C00512" NIL |kothari| 3458489017 NIL NIL) (CHEBI "15515" NIL |kothari| 3458489017 NIL NIL) (PUBCHEM "25245721" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "25200800" NIL |taltman| 3466375284 NIL NIL) (CAS "102185-37-5"))
GLUTARYL-COA glutaryl-CoA ((PUBCHEM "25244295" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00527" NIL |taltman| 3459474373 NIL NIL)) NIL
DEPHOSPHO-COA dephospho-CoA ((PUBCHEM "25244237" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00882" NIL |kr| 3346617698 NIL NIL) (CAS "3633-59-8")) ((KNAPSACK "C00007257" NIL |achi1| 3445698166 NIL NIL) (LIGAND-CPD "C00882" NIL |kr| 3346617698 NIL NIL) (CAS "3633-59-8"))
FERULOYL-COA feruloyl-CoA ((CHEBI "57276" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44229137" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C00406" NIL |sreddy| 3298394853 NIL NIL)) ((CHEBI "57276" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44229137" NIL |taltman| 3466375283 NIL NIL) (PUBCHEM "25244845" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "656487" NIL |caspi| 3399125638 NIL NIL) (PUBCHEM "11966129" NIL |caspi| 3399125608 NIL NIL) (PUBCHEM "5280347" NIL |caspi| 3399125608 NIL NIL) (LIGAND-CPD "C00406" NIL |sreddy| 3298394853 NIL NIL))
2-METHYL-ACETO-ACETYL-COA 2-methylacetoacetyl-CoA ((PUBCHEM "25244541" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03344" NIL |taltman| 3459474373 NIL NIL) (CAS "6712-01-2")) ((CAS "6712-01-2"))
TRANS-3-METHYL-GLUTACONYL-COA 3-methylglutaconyl-CoA ((PUBCHEM "25244136" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03231" NIL |taltman| 3459474374 NIL NIL)) NIL
3-METHYL-CROTONYL-COA 3-methylcrotonyl-CoA ((PUBCHEM "25244212" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03069" NIL |taltman| 3459474373 NIL NIL)) NIL
3-HYDROXY-PROPIONYL-COA 3-hydroxypropanoyl-CoA ((CHEBI "58528" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "44229175" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C05668" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C05668" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "25245434" NIL |taltman| 3451921009 NIL NIL))
ACRYLYL-COA acrylyl-CoA ((CHEBI "15513" NIL |kothari| 3496499692 NIL NIL) (PUBCHEM "25244583" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00894" NIL |taltman| 3459474373 NIL NIL) (CAS "5776-58-9")) ((PUBCHEM "25244583" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00894" NIL |taltman| 3459474373 NIL NIL) (CAS "5776-58-9"))
CPD-1083 2-methyl-crotonyl-CoA ((PUBCHEM "25244790" NIL |taltman| 3497976212 NIL NIL) (CAS "6247-62-7") (LIGAND-CPD "C03345" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C03345" NIL |kr| 3410284649 NIL NIL))
2-METHYL-3-HYDROXY-BUTYRYL-COA 2-methyl-3-hydroxybutyryl-CoA ((PUBCHEM "25245081" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04405" NIL |taltman| 3459474373 NIL NIL)) NIL
METHACRYLYL-COA methylacrylyl-CoA ((PUBCHEM "25245875" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03460" NIL |taltman| 3459474373 NIL NIL) (CAS "6008-91-9")) ((CAS "6008-91-9"))
ISOBUTYRYL-COA isobutyryl-CoA ((CHEBI "57338" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "45266570" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00630" NIL |kr| 3410284650 NIL NIL) (CAS "15621-60-0")) ((PUBCHEM "25245234" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00630" NIL |kr| 3410284650 NIL NIL) (CAS "15621-60-0"))
ISOVALERYL-COA isovaleryl-CoA ((PUBCHEM "25244093" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C02939" NIL |taltman| 3459474373 NIL NIL) (CAS "6244-91-3")) ((CAS "6244-91-3"))
2-METHYL-BUTYRYL-COA 2-methylbutanoyl-CoA ((CHEBI "15477" NIL |taltman| 3499618762 NIL NIL) (PUBCHEM "25245899" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01033" NIL |kothari| 3456246081 NIL NIL)) NIL
SUC-COA succinyl-CoA ((PUBCHEM "25245777" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "25245777" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00091" NIL |kr| 3346617700 NIL NIL) (CAS "604-98-8")) ((LIGAND-CPD "C00091" NIL |kr| 3346617700 NIL NIL) (CAS "604-98-8"))
3-HYDROXY-3-METHYL-GLUTARYL-COA (S)-3-hydroxy-3-methylglutaryl-CoA ((CHEBI "15467" NIL |fulcher| 3501354541 NIL NIL) (PUBCHEM "3617" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00356" NIL |taltman| 3459474373 NIL NIL) (CAS "1553-55-5")) ((CAS "1553-55-5"))
S-3-HYDROXYBUTANOYL-COA (S)-3-hydroxybutanoyl-CoA ((PUBCHEM "44237279" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C01144" NIL |kr| 3346617699 NIL NIL)) ((PUBCHEM "25243972" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C01144" NIL |kr| 3346617699 NIL NIL))
CPD-650 (R)-3-hydroxybutanoyl-CoA ((PUBCHEM "25245108" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03561" NIL |kr| 3410284650 NIL NIL) (UM-BBD-CPD "c0030" NIL |kawakami| 3278884321 NIL NIL)) ((LIGAND-CPD "C03561" NIL |kr| 3410284650 NIL NIL) (UM-BBD-CPD "c0030" NIL |kawakami| 3278884321 NIL NIL))
2-AMINOBENZOYL-COA 2-aminobenzoyl-CoA ((PUBCHEM "46173565" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C02247" NIL |taltman| 3466371734 NIL NIL)) ((PUBCHEM "25246310" NIL |taltman| 3466375283 NIL NIL) (LIGAND-CPD "C02247" NIL |taltman| 3466371734 NIL NIL))
PALMITYL-COA palmitoyl-CoA ((CHEBI "57379" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "45266605" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00154" NIL |kr| 3346617701 NIL NIL) (CAS "1763-10-6")) ((PUBCHEM "25243942" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00154" NIL |kr| 3346617701 NIL NIL) (CAS "1763-10-6"))
LAUROYLCOA-CPD lauroyl-CoA ((CHEBI "57375" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25113193" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01832" NIL |kr| 3346617700 NIL NIL) (CAS "6244-92-4")) ((PUBCHEM "25113193" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01832" NIL |kr| 3346617700 NIL NIL) (CAS "6244-92-4"))
STEAROYL-COA stearoyl-CoA ((PUBCHEM "25245778" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00412" NIL |sreddy| 3295277879 NIL NIL) (CAS "362-66-3")) ((LIGAND-CPD "C00412" NIL |sreddy| 3295277879 NIL NIL) (CAS "362-66-3"))
BUTYRYL-COA butanoyl-CoA ((PUBCHEM "25244513" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00136" NIL |kr| 3346617700 NIL NIL) (UM-BBD-CPD "c0023" NIL |kawakami| 3278884489 NIL NIL) (CAS "2140-48-9")) ((PUBCHEM "25244513" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00136" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "c00136" NIL |kawakami| 3278884915 NIL NIL) (UM-BBD-CPD "c0023" NIL |kawakami| 3278884489 NIL NIL) (CAS "2140-48-9"))
CROTONYL-COA crotonyl-CoA ((PUBCHEM "25245057" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00877" NIL |kr| 3346617699 NIL NIL) (UM-BBD-CPD "c0032" NIL |kawakami| 3278884417 NIL NIL) (CAS "102680-35-3")) ((LIGAND-CPD "C00877" NIL |kr| 3346617699 NIL NIL) (UM-BBD-CPD "c0032" NIL |kawakami| 3278884417 NIL NIL) (CAS "102680-35-3"))
ACETOACETYL-COA acetoacetyl-CoA ((KNAPSACK "C00007269" NIL |kothari| 3494210264 NIL NIL) (CHEBI "15345" NIL |kothari| 3494210264 NIL NIL) (PUBCHEM "25245580" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00332" NIL |kawakami| 3276027507 NIL NIL) (CAS "1420-36-6")) ((LIGAND-CPD "C00332" NIL |kawakami| 3276027507 NIL NIL) (CAS "1420-36-6"))
ZYMOSTEROL zymosterol ((PUBCHEM "25244184" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05437" NIL |sreddy| 3295641659 NIL NIL) (CAS "128-33-6")) ((LIGAND-CPD "C05437" NIL |sreddy| 3295641659 NIL NIL) (CAS "128-33-6"))
CPD-3941 campest-5-en-3-one (PUBCHEM 25201490 NIL taltman 3466375284 NIL NIL) NIL
CPD-9700 hypoglycin B ((PUBCHEM "25246042" NIL |taltman| 3466375283 NIL NIL) (|Wikipedia| "Hypoglycin_B" NIL |dreher| 3413225681 NIL NIL) (LIGAND-CPD "C08280" NIL |dreher| 3413224794 NIL NIL)) ((|Wikipedia| "Hypoglycin_B" NIL |dreher| 3413225681 NIL NIL) (LIGAND-CPD "C08280" NIL |dreher| 3413224794 NIL NIL) (PUBCHEM "108105" NIL |dreher| 3413224794 NIL NIL))
ACETYL-GLU N-acetyl-L-glutamate ((CHEBI "44337" NIL |taltman| 3466399582 NIL NIL) (PUBCHEM "1549099" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00624" NIL |kaipa| 3311532629 NIL NIL) (CAS "1188-37-0")) ((LIGAND-CPD "C00624" NIL |kaipa| 3311532629 NIL NIL) (CAS "1188-37-0"))
5-PHOSPHO-RIBOSYL-GLYCINEAMIDE 5-phospho-ribosyl-glycineamide ((PUBCHEM "25244572" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C03838" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C03838" NIL |kr| 3346617699 NIL NIL))
5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE 5-phosphoribosyl-N-formylglycineamidine ((PUBCHEM "25244446" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04640" NIL |keseler| 3342800794 NIL NIL)) ((PUBCHEM "440417" NIL |keseler| 3342800794 NIL NIL) (LIGAND-CPD "C04640" NIL |keseler| 3342800794 NIL NIL))
5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE 5'-phosphoribosyl-N-formylglycineamide ((PUBCHEM "25245380" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04376" NIL |keseler| 3342456871 NIL NIL)) ((PUBCHEM "440313" NIL |keseler| 3342456871 NIL NIL) (LIGAND-CPD "C04376" NIL |keseler| 3342456871 NIL NIL))
CPD-6141 N-methyl-β-alanine (PUBCHEM 25202453 NIL taltman 3466375284 NIL NIL) NIL
CPD-1862 indolylmethyl-desulfoglucosinolate ((LIGAND-CPD "C16517" NIL |kothari| 3494203431 NIL NIL) (PUBCHEM "25244343" NIL |taltman| 3466375284 NIL NIL)) ((PUBCHEM "25244343" NIL |taltman| 3466375284 NIL NIL))
BENZYL-DESULFOGLUCOSINOLATE benzyl-desulfoglucosinolate ((PUBCHEM "25245843" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C01069" NIL |sreddy| 3299353141 NIL NIL) (PUBCHEM "11953793" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "25245843" NIL |taltman| 3466375284 NIL NIL)) ((PUBCHEM "25245843" NIL |taltman| 3466375284 NIL NIL))
PHENYLACETOTHIOHYDROXIMATE phenylacetothiohydroximate ((CHEBI "17520" NIL |taltman| 3499618762 NIL NIL) (PUBCHEM "25202663" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C03719" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C03719" NIL |kr| 3410284650 NIL NIL) (PUBCHEM "3295299" NIL |taltman| 3466375284 NIL NIL) (CHEBI "17520" NIL |taltman| 3452363509 NIL NIL))
3-METHYLTHIOPROPYLHYDROXAMIC-ACID 4-methylthiobutylhydroximate ((LIGAND-CPD "C17243" NIL |taltman| 3497980106 NIL NIL) (PUBCHEM "25202476" NIL |taltman| 3466375284 NIL NIL)) ((PUBCHEM "25202476" NIL |taltman| 3466375284 NIL NIL))
CPD-463 nicotianamine ((PUBCHEM "25202735" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C05324" NIL |taltman| 3459474374 NIL NIL) (CAS "34441-14-0")) ((PUBCHEM "25202735" NIL |taltman| 3448034169 NIL NIL) (CAS "34441-14-0"))
PRO L-proline ((CHEBI "60039" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6971047" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00148" NIL |kaipa| 3311532639 NIL NIL) (CAS "147-85-3")) ((PUBCHEM "25246272" NIL |taltman| 3451921010 NIL NIL) (KNAPSACK "C00001388" NIL |achi1| 3445698172 NIL NIL) (LIGAND-CPD "C00148" NIL |kaipa| 3311532639 NIL NIL) (CAS "147-85-3"))
L-ALPHA-ALANINE L-alanine ((PUBCHEM "7311724" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00041" NIL |kaipa| 3311532638 NIL NIL) (CAS "56-41-7")) ((PUBCHEM "7311724" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001332" NIL |achi1| 3445698170 NIL NIL) (PUBCHEM "5950" NIL |taltman| 3448034169 NIL NIL) (PUBCHEM "7311724" NIL |taltman| 3451921010 NIL NIL) (CAS "6898-94-8") (LIGAND-CPD "C00041" NIL |kaipa| 3311532638 NIL NIL) (CAS "56-41-7"))
VAL L-valine ((CHEBI "57762" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6971018" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00183" NIL |kaipa| 3311532640 NIL NIL) (CAS "72-18-4")) ((KNAPSACK "C00001398" NIL |achi1| 3445698173 NIL NIL) (PUBCHEM "6971018" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00183" NIL |kaipa| 3311532640 NIL NIL) (CAS "72-18-4"))
LEU L-leucine ((CHEBI "57427" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "7045798" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00123" NIL |kaipa| 3311532639 NIL NIL) (NCI "46709") (CAS "61-90-5")) ((PUBCHEM "5255803" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001377" NIL |achi1| 3445698171 NIL NIL) (PUBCHEM "5255803" NIL |taltman| 3451921010 NIL NIL) (CAS "7005-03-0") (LIGAND-CPD "C00123" NIL |kaipa| 3311532639 NIL NIL) (NCI "46709") (CAS "61-90-5"))
ILE L-isoleucine ((PUBCHEM "7043901" NIL |taltman| 3497976212 NIL NIL) (CHEBI "17191" NIL |caspi| 3473172926 NIL NIL) (CAS "73-32-5" NIL |kr| 3346617698 NIL NIL) (LIGAND-CPD "C00407" NIL |kaipa| 3311532639 NIL NIL)) ((KNAPSACK "C00001374" NIL |achi1| 3445698170 NIL NIL) (PUBCHEM "25244449" NIL |taltman| 3451921010 NIL NIL) (CAS "7004-09-3") (CAS "73-32-5" NIL |kr| 3346617698 NIL NIL) (LIGAND-CPD "C00407" NIL |kaipa| 3311532639 NIL NIL))
PHE L-phenylalanine ((PUBCHEM "6925665" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00079" NIL |kaipa| 3311532639 NIL NIL) (CAS "63-91-2")) ((PUBCHEM "6925665" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001386" NIL |achi1| 3445698172 NIL NIL) (PUBCHEM "6925665" NIL |taltman| 3451921010 NIL NIL) (CAS "3617-44-5") (LIGAND-CPD "C00079" NIL |kaipa| 3311532639 NIL NIL) (CAS "63-91-2"))
MET L-methionine ((PUBCHEM "6992087" NIL |taltman| 3466375285 NIL NIL) (CHEBI "16643" NIL |caspi| 3459197066 NIL NIL) (LIGAND-CPD "C00073" NIL |kaipa| 3311532639 NIL NIL) (CAS "63-68-3")) ((PUBCHEM "6992087" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "84815" NIL |taltman| 3448034169 NIL NIL) (CHEBI "16643" NIL |caspi| 3459197066 NIL NIL) (KNAPSACK "C00001379" NIL |achi1| 3445698171 NIL NIL) (PUBCHEM "5255805" NIL |taltman| 3451921010 NIL NIL) (CAS "7005-18-7") (LIGAND-CPD "C00073" NIL |kaipa| 3311532639 NIL NIL) (CAS "63-68-3"))
TRP L-tryptophan ((PUBCHEM "6923516" NIL |taltman| 3466375285 NIL NIL) (CAS "6912-86-3") (LIGAND-CPD "C00078" NIL |kaipa| 3311532640 NIL NIL) (CAS "73-22-3")) ((PUBCHEM "6923516" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001396" NIL |achi1| 3445698173 NIL NIL) (PUBCHEM "6305" NIL |taltman| 3448034169 NIL NIL) (PUBCHEM "6923516" NIL |taltman| 3451921010 NIL NIL) (CAS "6912-86-3") (LIGAND-CPD "C00078" NIL |kaipa| 3311532640 NIL NIL) (CAS "73-22-3"))
GLY glycine ((PUBCHEM "5257127" NIL |taltman| 3466375285 NIL NIL) (CHEBI "15428" NIL |kothari| 3466264019 NIL NIL) (KNAPSACK "C00001361" NIL |achi1| 3445698168 NIL NIL) (LIGAND-CPD "C00037" NIL |kaipa| 3311532639 NIL NIL) (CAS "56-40-6")) ((CHEBI "15428" NIL |kothari| 3466264019 NIL NIL) (PUBCHEM "5257127" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001361" NIL |achi1| 3445698168 NIL NIL) (PUBCHEM "5257127" NIL |taltman| 3451921010 NIL NIL) (KNAPKSACK "C00001361") (LIGAND-CPD "C00037" NIL |kaipa| 3311532639 NIL NIL) (CAS "56-40-6"))
GLT L-glutamate ((PUBCHEM "5460299" NIL |taltman| 3466375284 NIL NIL) (KNAPSACK "C00001358" NIL |achi1| 3445698168 NIL NIL) (CHEBI "29985" NIL |taltman| 3452363479 NIL NIL) (LIGAND-CPD "C00025" NIL |keseler| 3341253891 NIL NIL) (CAS "56-86-0")) ((PUBCHEM "5460299" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "5460299" NIL |taltman| 3451921010 NIL NIL) (CHEBI "29985" NIL |taltman| 3452363479 NIL NIL) (KNAPSACK "C00001358" NIL |achi1| 3445698168 NIL NIL) (KNAPKSACK "C00001358") (CAS "6893-26-1") (LIGAND "C00217" NIL |kaipa| 3311532640 NIL NIL) (LIGAND-CPD "C00025" NIL |keseler| 3341253891 NIL NIL) (CAS "56-86-0"))
TYR L-tyrosine ((PUBCHEM "6942100" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00082" NIL |kaipa| 3311532640 NIL NIL) (CAS "60-18-4")) ((PUBCHEM "4300518" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001397" NIL |achi1| 3445698173 NIL NIL) (PUBCHEM "4300518" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00082" NIL |kaipa| 3311532640 NIL NIL) (CAS "60-18-4"))
ASN L-asparagine ((CHEBI "17196" NIL |kothari| 3491057424 NIL NIL) (PUBCHEM "5247114" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00152" NIL |kaipa| 3311532638 NIL NIL) (CAS "70-47-3")) ((KNAPSACK "C00001341" NIL |achi1| 3445698159 NIL NIL) (CAS "7006-34-0") (LIGAND-CPD "C00152" NIL |kaipa| 3311532638 NIL NIL) (CAS "70-47-3"))
GLN L-glutamine ((PUBCHEM "25244553" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00064" NIL |kaipa| 3311532639 NIL NIL) (CAS "56-85-9" NIL |keseler| 3341253091 NIL NIL)) ((PUBCHEM "25244553" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001359" NIL |achi1| 3445698168 NIL NIL) (PUBCHEM "25244553" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00064" NIL |kaipa| 3311532639 NIL NIL) (CAS "56-85-9" NIL |keseler| 3341253091 NIL NIL))
SER L-serine ((CHEBI "33384" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6857581" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00065" NIL |kaipa| 3311532639 NIL NIL) (CAS "56-45-1")) ((PUBCHEM "6857581" NIL |taltman| 3497976212 NIL NIL) (CHEBI "33384" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6857552" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001393" NIL |achi1| 3445698173 NIL NIL) (CHEBI "35243" NIL |taltman| 3452363324 NIL NIL) (PUBCHEM "6857552" NIL |taltman| 3451921010 NIL NIL) (KNAPKSACK "C00001393") (LIGAND "C00065" NIL |kaipa| 3311532639 NIL NIL) (LIGAND-CPD "C00065" NIL |kaipa| 3311532639 NIL NIL) (CAS "56-45-1"))
THR L-threonine ((CHEBI "16857" NIL |kothari| 3505525506 NIL NIL) (PUBCHEM "6995276" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00188" NIL |kaipa| 3311532639 NIL NIL) (CAS "72-19-5")) ((KNAPSACK "C00001394" NIL |achi1| 3445698173 NIL NIL) (PUBCHEM "6995276" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00188" NIL |kaipa| 3311532639 NIL NIL) (CAS "72-19-5"))
ARG L-arginine ((CHEBI "32696" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5231987" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00062" NIL |kr| 3346617700 NIL NIL) (CAS "74-79-3")) ((PUBCHEM "5231987" NIL |taltman| 3451921010 NIL NIL) (CHEBI "32696" NIL |taltman| 3452363417 NIL NIL) (KNAPSACK "C00001340" NIL |achi1| 3445698159 NIL NIL) (CAS "7004-12-8") (LIGAND-CPD "C00062" NIL |kr| 3346617700 NIL NIL) (CAS "74-79-3"))
LYS L-lysine ((CHEBI "32564" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5242389" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00047" NIL |kawakami| 3276028494 NIL NIL) (CAS "56-87-1")) ((PUBCHEM "5242389" NIL |taltman| 3451921010 NIL NIL) (CHEBI "32564" NIL |taltman| 3452363426 NIL NIL) (KNAPSACK "C00001378" NIL |achi1| 3445698171 NIL NIL) (LIGAND-CPD "C00047" NIL |kawakami| 3276028494 NIL NIL) (CAS "56-87-1"))
HIS L-histidine ((CHEBI "108612" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "3651426" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00135" NIL |kr| 3346617700 NIL NIL) (CAS "71-00-1")) ((CHEBI "108612" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "3651426" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "3651426" NIL |taltman| 3451921010 NIL NIL) (CAS "7006-35-1") (LIGAND-CPD "C00135" NIL |kr| 3346617700 NIL NIL) (CAS "71-00-1"))
D-ALANINE D-alanine ((CHEBI "57416" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "7311725" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00133" NIL |kaipa| 3311532640 NIL NIL) (CAS "338-69-2")) ((LIGAND-CPD "C00133" NIL |kaipa| 3311532640 NIL NIL) (CAS "338-69-2"))
L-ORNITHINE L-ornithine ((CHEBI "46911" NIL |taltman| 3498180761 NIL NIL) (LIGAND-CPD "C00077" NIL |kothari| 3494166013 NIL NIL) (PUBCHEM "6992088" NIL |taltman| 3466375284 NIL NIL)) ((PUBCHEM "6992088" NIL |taltman| 3451921010 NIL NIL) (CHEBI "46911" NIL |taltman| 3452363034 NIL NIL) (CAS "7006-33-9") (LIGAND-CPD "C01602" NIL |kr| 3346617700 NIL NIL) (CAS "70-26-8"))
B-ALANINE β-alanine ((PUBCHEM "4755801" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00099" NIL |kaipa| 3311532641 NIL NIL) (CAS "107-95-9")) ((PUBCHEM "4755801" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00001333" NIL |achi1| 3445698159 NIL NIL) (PUBCHEM "4755801" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00099" NIL |kaipa| 3311532641 NIL NIL) (CAS "107-95-9"))
CARBAMYUL-L-ASPARTATE N-carbamoyl-L-aspartate ((PUBCHEM "21960964" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00438" NIL |kr| 3346617701 NIL NIL) (CAS "16649-79-9")) ((LIGAND-CPD "C00438" NIL |kr| 3346617701 NIL NIL) (CAS "16649-79-9"))
L-ASPARTATE-SEMIALDEHYDE L-aspartate-semialdehyde ((CHEBI "537519" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5287708" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00441" NIL |kr| 3346617699 NIL NIL) (CAS "15106-57-7")) ((LIGAND-CPD "C00441" NIL |kr| 3346617699 NIL NIL) (CAS "15106-57-7"))
CPD-9699 hypoglycin A ((PUBCHEM "25244430" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C08287" NIL |taltman| 3459474374 NIL NIL) (|Wikipedia| "Hypoglycin" NIL |dreher| 3413225644 NIL NIL)) ((|Wikipedia| "Hypoglycin" NIL |dreher| 3413225644 NIL NIL) (PUBCHEM "9081" NIL |dreher| 3413222966 NIL NIL))
L-GAMMA-GLUTAMYLCYSTEINE L-γ-glutamylcysteine ((PUBCHEM "25244219" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00669" NIL |kr| 3346617701 NIL NIL) (CAS "686-58-8")) ((LIGAND-CPD "C00669" NIL |kr| 3346617701 NIL NIL) (CAS "686-58-8"))
L-BETA-ASPARTYL-P L-aspartyl-4-phosphate ((CHEBI "57535" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "11948925" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C03082" NIL |kr| 3346617699 NIL NIL) (CAS "22138-53-0")) ((LIGAND-CPD "C03082" NIL |kr| 3346617699 NIL NIL) (CAS "22138-53-0"))
ADENOSYL-HOMO-CYS S-adenosyl-L-homocysteine ((CHEBI "57856" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25246222" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00021" NIL |kr| 3346617699 NIL NIL) (CAS "979-92-0")) ((CHEBI "57856" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25246222" NIL |taltman| 3466375284 NIL NIL) (KNAPSACK "C00007230" NIL |achi1| 3445698159 NIL NIL) (PUBCHEM "25246222" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "25203782" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00021" NIL |kr| 3346617699 NIL NIL) (CAS "979-92-0"))
S-ADENOSYLMETHIONINE S-adenosyl-L-methionine ((CHEBI "59789" NIL |caspi| 3501080055 NIL NIL) (PUBCHEM "44229224" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C00019" NIL |kr| 3346617700 NIL NIL) (CAS "29908-03-0")) ((CHEBI "59789" NIL |caspi| 3501080055 NIL NIL) (PUBCHEM "44229224" NIL |taltman| 3466375284 NIL NIL) (KNAPSACK "C00007347" NIL |achi1| 3445698173 NIL NIL) (PUBCHEM "24762165" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "25203285" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C00019" NIL |kr| 3346617700 NIL NIL) (CAS "29908-03-0"))
O-PHOSPHO-L-HOMOSERINE O-phospho-L-homoserine ((CHEBI "15961" NIL |caspi| 3500827163 NIL NIL) (PUBCHEM "25243978" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01102" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C01102" NIL |kr| 3346617699 NIL NIL))
HOMO-SER L-homoserine ((CHEBI "15699" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "12647" NIL |taltman| 3497976212 NIL NIL) (CAS "672-15-1" NIL |kr| 3346617698 NIL NIL) (LIGAND-CPD "C00263" NIL |kaipa| 3311532629 NIL NIL)) ((CAS "498-19-1") (CAS "672-15-1" NIL |kr| 3346617698 NIL NIL) (LIGAND-CPD "C00263" NIL |kaipa| 3311532629 NIL NIL))
HOMO-CYS L-homocysteine ((PUBCHEM "6971015" NIL |taltman| 3466375285 NIL NIL) (CAS "6027-13-0" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C00155" NIL |kr| 3346617701 NIL NIL) (CAS "454-28-4")) ((LIGAND-CPD "C00155" NIL |kr| 3346617701 NIL NIL) (CAS "6027-13-0" NIL |kr| 3346617701 NIL NIL) (CAS "454-28-4"))
3-P-SERINE 3-phospho-L-serine ((CHEBI "57524" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "7059387" NIL |taltman| 3466375285 NIL NIL) (CAS "407-41-0" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C01005" NIL |kr| 3346617700 NIL NIL) (CAS "17885-08-4" NIL |kaipa| 3311532843 NIL NIL)) ((PUBCHEM "7059387" NIL |taltman| 3451921010 NIL NIL) (CAS "407-41-0" NIL |kr| 3346617700 NIL NIL) (LIGAND-CPD "C01005" NIL |kr| 3346617700 NIL NIL) (CAS "17885-08-4" NIL |kaipa| 3311532843 NIL NIL))
MESO-DIAMINOPIMELATE meso-diaminopimelate ((CHEBI "57791" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "1549101" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00680" NIL |kr| 3346617701 NIL NIL) (CAS "922-54-3")) ((LIGAND-CPD "C00680" NIL |kr| 3346617701 NIL NIL) (CAS "922-54-3"))
CPD-8087 1-18:3-2-16:0-phosphatidylglycerol (PUBCHEM 25244465 NIL taltman 3466375284 NIL NIL) NIL
CPD-2185 1-18:2-2-trans-16:1-phosphatidylglycerol (PUBCHEM 25244612 NIL taltman 3466375284 NIL NIL) NIL
CPD-2186 1-18:3-2-trans-16:1-phosphatidylglycerol (PUBCHEM 25244378 NIL taltman 3466375284 NIL NIL) NIL
CPD-2183 1-18:1-2-16:0-phosphatidylglycerol (PUBCHEM 25246152 NIL taltman 3466375283 NIL NIL) NIL
CPD-8086 1-18:2-2-16:0-phosphatidylglycerol (PUBCHEM 25244404 NIL taltman 3466375284 NIL NIL) NIL
CPD-2184 1-18:1-2-trans-16:1-phosphatidylglycerol (PUBCHEM 25245805 NIL taltman 3466375284 NIL NIL) NIL
CPD-8159 1-16:0-2-18:3-phosphatidylcholine ((PUBCHEM "10771393" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "5313197" NIL |Tom Walk| 3370105795 NIL NIL)) ((PUBCHEM "5313197" NIL |Tom Walk| 3370105795 NIL NIL))
CPD-2181 1-18:1-2-18:1-sn-glycerol-3-phosphocholine ((PUBCHEM "6437081" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "5313476" NIL |Tom Walk| 3370106019 NIL NIL)) ((PUBCHEM "5313476" NIL |Tom Walk| 3370106019 NIL NIL))
CPD-8088 1-18:2-2-18:1-phosphatidylcholine (PUBCHEM 14818934 NIL taltman 3466375284 NIL NIL) NIL
CPD-8091 1-18:1-2-18:2-phosphatidylcholine ((PUBCHEM "15151374" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "5313480" NIL |Tom Walk| 3370106071 NIL NIL)) ((PUBCHEM "5313480" NIL |Tom Walk| 3370106071 NIL NIL))
CPD-8089 1-18:3-2-18:1-phosphatidylcholine (PUBCHEM 25245640 NIL taltman 3466375284 NIL NIL) NIL
CPD-2182 1-18:2-2-18:2-sn-glycerol-3-phosphocholine ((PUBCHEM "6440944" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "5313522" NIL |Tom Walk| 3370106342 NIL NIL)) ((PUBCHEM "5313522" NIL |Tom Walk| 3370106342 NIL NIL))
CPD-8092 1-18:1-2-18:3-phosphatidylcholine ((PUBCHEM "24778942" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "5313483" NIL |Tom Walk| 3370106110 NIL NIL)) ((PUBCHEM "5313483" NIL |Tom Walk| 3370106110 NIL NIL))
CPD-8090 1-18:3-2-18:2-phosphatidylcholine (PUBCHEM 25244210 NIL taltman 3466375284 NIL NIL) NIL
CPD-8093 1-18:2-2-18:3-phosphatidylcholine (PUBCHEM 25244746 NIL taltman 3466375284 NIL NIL) NIL
1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE 1-18:3-2-18:3-phosphatidylcholine ((PUBCHEM "6442626" NIL |taltman| 3466375284 NIL NIL) (PUBCHEM "5313540" NIL |Tom Walk| 3370106500 NIL NIL)) ((PUBCHEM "5313540" NIL |Tom Walk| 3370106500 NIL NIL))
CPD-8157 1-16:0-2-18:1-phosphatidylcholine ((PUBCHEM "5282288" NIL |Tom Walk| 3370105665 NIL NIL) (CHEBI "141089" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6436017" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C13875" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C13875" NIL |kr| 3410284649 NIL NIL) (PUBCHEM "5282288" NIL |Tom Walk| 3370105665 NIL NIL))
NONAPRENYL-4-HYDROXYBENZOATE nonaprenyl-4-hydroxybenzoate ((CHEBI "18162" NIL |kothari| 3466534520 NIL NIL) (PUBCHEM "25244030" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C03885" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C03885" NIL |kr| 3410284649 NIL NIL))
UNDECAPRENYL-DIPHOSPHATE di-trans,octa-cis-undecaprenyl diphosphate ((CHEBI "58405" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245563" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C04574" NIL |kothari| 3453037083 NIL NIL)) ((PUBCHEM "5280700" NIL |caspi| 3367678664 NIL NIL) (LIGAND-CPD "C03543" NIL |kr| 3346617699 NIL NIL))
OCTAPRENYL-DIPHOSPHATE all-trans-octaprenyl diphosphate ((CHEBI "57711" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245331" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04146" NIL |kr| 3345594407 NIL NIL)) ((LIGAND-CPD "C04146" NIL |kr| 3345594407 NIL NIL))
ALL-TRANS-HEXAPRENYL-DIPHOSPHATE all-trans-hexaprenyl diphosphate ((CHEBI "58179" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25246217" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01230" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C01230" NIL |kr| 3410284650 NIL NIL))
SOLANESYL-PYROPHOSPHATE all-trans-nonaprenyl diphosphate ((PUBCHEM "25244603" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04145" NIL |taltman| 3459474373 NIL NIL)) ((PUBCHEM "25244603" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04145" NIL |taltman| 3459474373 NIL NIL) (KNAPSACK "C00007289" NIL |achi1| 3445698173 NIL NIL) (PUBCHEM "25244603" NIL |taltman| 3451921010 NIL NIL))
GERANYLGERANYL-PP all-trans-geranyl-geranyl diphosphate ((PUBCHEM "5497105" NIL |taltman| 3466375285 NIL NIL) (CHEBI "15831" NIL |caspi| 3460494986 NIL NIL) (LIGAND-CPD "C00353" NIL |kr| 3410284649 NIL NIL)) ((KNAPSACK "C00000908" NIL |achi1| 3445698168 NIL NIL) (PUBCHEM "5497105" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "447277" NIL |caspi| 3460494986 NIL NIL) (CHEBI "15831" NIL |caspi| 3460494986 NIL NIL) (LIGAND-CPD "C00353" NIL |kr| 3410284649 NIL NIL))
ALL-TRANS-PENTAPRENYL-DIPHOSPHATE geranylfarnesyl diphosphate ((CHEBI "57907" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244051" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04217" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C04217" NIL |kr| 3410284649 NIL NIL))
ALL-TRANS-HEPTAPRENYL-DIPHOSPHATE all-trans-heptaprenyl diphosphate ((PUBCHEM "25245257" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04216" NIL |kr| 3410284650 NIL NIL)) ((LIGAND-CPD "C04216" NIL |kr| 3410284650 NIL NIL))
N-4-GUANIDINOBUTYL-4-HYDROXYCINNAMAMID 4-coumaroylagmatine ((CHEBI "58644" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245514" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04498" NIL |taltman| 3466371734 NIL NIL)) ((PUBCHEM "25245514" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04498" NIL |taltman| 3466371734 NIL NIL) (CHEBI "32818" NIL |kothari| 3423244478 NIL NIL))
PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE phosphoribosyl-formamido-carboxamide ((PUBCHEM "25244918" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04734" NIL |kr| 3346617700 NIL NIL)) ((LIGAND-CPD "C04734" NIL |kr| 3346617700 NIL NIL))
AICAR aminoimidazole carboxamide ribonucleotide ((CHEBI "289555" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25244110" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04677" NIL |keseler| 3341780225 NIL NIL) (CAS "3031-94-5")) ((LIGAND-CPD "C04677" NIL |keseler| 3341780225 NIL NIL) (CAS "3031-94-5"))
PHOSPHORIBULOSYL-FORMIMINO-AICAR-P phosphoribulosylformimino-AICAR-P ((PUBCHEM "25246314" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04916" NIL |keseler| 3342300620 NIL NIL)) ((PUBCHEM "193735" NIL |keseler| 3342300620 NIL NIL) (LIGAND-CPD "C04916" NIL |keseler| 3342300620 NIL NIL))
PHOSPHORIBOSYL-FORMIMINO-AICAR-P 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide ((PUBCHEM "25245036" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04896" NIL |keseler| 3342300797 NIL NIL)) ((PUBCHEM "440534" NIL |keseler| 3342300797 NIL NIL) (LIGAND-CPD "C04896" NIL |keseler| 3342300797 NIL NIL))
CPD-6121 1-(3-aminopropyl)-4-aminobutanal ((CHEBI "58869" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25203056" NIL |taltman| 3466375284 NIL NIL)) ((PUBCHEM "25203056" NIL |taltman| 3466375284 NIL NIL))
CPD-3462 N8-acetylspermidine ((CHEBI "58535" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25201125" NIL |taltman| 3466375284 NIL NIL) (CAS "34450-15-2" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C01029" NIL |keseler| 3342287284 NIL NIL)) ((PUBCHEM "25201125" NIL |taltman| 3466375284 NIL NIL) (CAS "34450-15-2" NIL |kr| 3346617701 NIL NIL) (LIGAND-CPD "C01029" NIL |keseler| 3342287284 NIL NIL))
SPERMIDINE spermidine ((CHEBI "57834" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "6992097" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C00315" NIL |kr| 3346617698 NIL NIL) (CAS "124-20-9")) ((PUBCHEM "6992097" NIL |taltman| 3466375285 NIL NIL) (PUBCHEM "6992097" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00315" NIL |kr| 3346617698 NIL NIL) (CAS "124-20-9"))
PUTRESCINE putrescine ((CHEBI "326268" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "3452892" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00134" NIL |kr| 3346617701 NIL NIL) (CAS "110-60-1")) ((PUBCHEM "3452892" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C00134" NIL |kr| 3346617701 NIL NIL) (CAS "110-60-1"))
CADAVERINE cadaverine ((CHEBI "58384" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "3718401" NIL |taltman| 3451921010 NIL NIL) (LIGAND-CPD "C01672" NIL |keseler| 3342473293 NIL NIL) (CAS "462-94-2")) ((PUBCHEM "3718401" NIL |taltman| 3451921010 NIL NIL) (PUBCHEM "273" NIL |keseler| 3342473293 NIL NIL) (LIGAND-CPD "C01672" NIL |keseler| 3342473293 NIL NIL) (CAS "462-94-2"))
ACRYLONITRILE acrylonitrile ((PUBCHEM "7855" NIL |taltman| 3466375284 NIL NIL) (CHEBI "28217" NIL |taltman| 3452363558 NIL NIL) (LIGAND-CPD "C01998" NIL |kr| 3410284649 NIL NIL) (NCI "6362") (CAS "107-13-1")) ((LIGAND-CPD "C01998" NIL |kr| 3410284649 NIL NIL) (NCI "6362") (CAS "107-13-1"))
3-CYANOPYRIDINE 3-cyanopyridine ((PUBCHEM "79" NIL |taltman| 3466375285 NIL NIL) (NCI "17558") (CAS "100-54-9")) ((NCI "17558") (CAS "100-54-9"))
5-10-METHENYL-THF 5,10-methenyltetrahydrofolate ((PUBCHEM "644351" NIL |taltman| 3466375284 NIL NIL) (CHEBI "15638" NIL |taltman| 3452363346 NIL NIL) (LIGAND-CPD "C00445" NIL |kr| 3346617701 NIL NIL) (CAS "7444-29-3")) ((LIGAND-CPD "C00445" NIL |kr| 3346617701 NIL NIL) (CAS "7444-29-3"))
7-8-DIHYDROPTEROATE 7,8-dihydropteroate ((CHEBI "17839" NIL |taltman| 3498850556 NIL NIL) (PUBCHEM "5459950" NIL |taltman| 3497976212 NIL NIL) (LIGAND-CPD "C00921" NIL |kr| 3346617699 NIL NIL)) ((LIGAND-CPD "C00921" NIL |kr| 3346617699 NIL NIL))
INDOLE_ACETATE_AUXIN indole-3-acetate ((PUBCHEM "801" NIL |taltman| 3466375285 NIL NIL) (CHEBI "30854" NIL |taltman| 3452363449 NIL NIL) (LIGAND-CPD "C00954" NIL |kr| 3410284649 NIL NIL) (CAS "87-51-4")) ((PUBCHEM "801" NIL |taltman| 3466375285 NIL NIL) (KNAPSACK "C00000100" NIL |achi1| 3445698170 NIL NIL) (PUBCHEM "801" NIL |taltman| 3451921010 NIL NIL) (CHEBI "30854" NIL |taltman| 3452363449 NIL NIL) (LIGAND-CPD "C00954" NIL |kr| 3410284649 NIL NIL) (CAS "87-51-4"))
CPD-731 (+)-7-iso-jasmonate ((PUBCHEM "7251182" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C16317" NIL |taltman| 3459474373 NIL NIL)) ((PUBCHEM "7251182" NIL |taltman| 3451921010 NIL NIL))
CIS-3-HEXENOL (3Z)-hex-3-en-ol ((PUBCHEM "5284503" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C08492" NIL |taltman| 3459474374 NIL NIL) (NCI "74451") (CAS "928-96-1")) ((NCI "74451") (CAS "928-96-1"))
BUTANEDIOL (R,R)-2,3-butanediol ((PUBCHEM "225936" NIL |taltman| 3466375284 NIL NIL) (CHEBI "16982" NIL |taltman| 3452363512 NIL NIL) (LIGAND-CPD "C03044" NIL |kr| 3410284649 NIL NIL) (CAS "24347-58-8")) ((CAS "24347-58-8"))
5-O-INDOL-3-YLACETYL-MYO-ETCETERA 5-O-(indol-3-ylacetyl-myo-inositol) D-galactoside ((PUBCHEM "440445" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04695" NIL |sreddy| 3300739561 NIL NIL)) ((LIGAND-CPD "C04695" NIL |sreddy| 3300739561 NIL NIL))
INDOL-YLACETYL-MYO-INOSITOL-ARABINOSIDE indole-3-yl-acetyl-myo-inositol L-arabinoside ((PUBCHEM "440406" NIL |taltman| 3466375284 NIL NIL) (CHEBI "28071" NIL |taltman| 3452363045 NIL NIL) (LIGAND-CPD "C04611" NIL |sreddy| 3300740685 NIL NIL)) ((LIGAND-CPD "C04611" NIL |sreddy| 3300740685 NIL NIL))
CPD-165 indol-3-yl-acetyl-myo-inositol ((PUBCHEM "440152" NIL |taltman| 3466375284 NIL NIL) (CHEBI "15711" NIL |taltman| 3452362805 NIL NIL) (LIGAND-CPD "C03868" NIL |kr| 3410284650 NIL NIL)) NIL
MYO-INOSITOL myo-inositol ((KNAPSACK "C00001164" NIL |achi1| 3445698172 NIL NIL) (CAS "6917-35-7" NIL |hopkinso| 3309793078 NIL NIL) (CHEBI "17268" NIL |kothari| 3466532338 NIL NIL) (LIGAND-CPD "C00137" NIL |taltman| 3452530718 NIL NIL) (PUBCHEM "892" NIL |taltman| 3448034169 NIL NIL) (CAS "87-89-8" NIL |kr| 3346617699 NIL NIL)) ((CHEBI "17268" NIL |kothari| 3466532338 NIL NIL) (KNAPSACK "C00001164" NIL |achi1| 3445698172 NIL NIL) (CHEBI "17268" NIL |kadreher| 3428366272 NIL NIL) (LIGAND-CPD "C00137" NIL |taltman| 3452530718 NIL NIL) (CHEBI "24848" NIL |taltman| 3452438073 NIL NIL) (PUBCHEM "892" NIL |taltman| 3448034169 NIL NIL) (CAS "6917-35-7" NIL |hopkinso| 3309793078 NIL NIL) (CAS "87-89-8" NIL |kr| 3346617699 NIL NIL) (LIGAND-CPD "C00137" NIL |kaipa| 3311532643 NIL NIL))
D-MYO-INOSITOL-1-MONOPHOSPHATE 1D-myo-inositol (1)-monophosphate ((CHEBI "58433" NIL |taltman| 3498180761 NIL NIL) (KNAPSACK "C00007483" NIL |achi1| 3445698166 NIL NIL) (PUBCHEM "5288642" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01177" NIL |sreddy| 3300739007 NIL NIL)) ((LIGAND-CPD "C01177" NIL |sreddy| 3300739007 NIL NIL))
CPD-6746 1D-myo-inositol (2) monophosphate NIL (PUBCHEM 25203550 NIL taltman 3448034169 NIL NIL)
1-L-MYO-INOSITOL-1-P 1D-myo-inositol (3)-monophosphate ((CHEBI "58401" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "5288700" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04006" NIL |taltman| 3459474374 NIL NIL)) ((PUBCHEM "5288700" NIL |taltman| 3451921010 NIL NIL))
MI-HEXAKISPHOSPHATE 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate ((CHEBI "58130" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "21584050" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C01204" NIL |kr| 3346617701 NIL NIL)) ((PUBCHEM "16752675" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C01204" NIL |kr| 3346617701 NIL NIL))
CPD-6661 1D-myo-inositol (1,2,3,4,6)-pentakisphosphate (PUBCHEM 23615305 NIL taltman 3448034169 NIL NIL) NIL
CPD-534 D-myo-inositol (1,2,4,5,6)-pentakisphosphate ((CHEBI "57798" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25245416" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04563" NIL |taltman| 3459474373 NIL NIL) (CAS "20298-95-7")) ((PUBCHEM "25202636" NIL |taltman| 3448034169 NIL NIL) (CAS "20298-95-7"))
MI-PENTAKISPHOSPHATE D-myo-inositol (1,2,3,4,5)-pentakisphosphate ((PUBCHEM "25246002" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04579" NIL |sreddy| 3297178366 NIL NIL)) ((PUBCHEM "25203450" NIL |taltman| 3448034169 NIL NIL) (LIGAND-CPD "C04579" NIL |sreddy| 3297178366 NIL NIL))
CPD-6741 D-myo-inositol (1,2,3,5,6) pentakisphosphate ((CHEBI "58747" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25246187" NIL |taltman| 3466375283 NIL NIL)) ((PUBCHEM "25203733" NIL |taltman| 3448034169 NIL NIL))
CPD-1107 D-myo-inositol (1,3,4,5,6)-pentakisphosphate (LIGAND-CPD C01284 NIL kothari 3475343566 NIL NIL) (PUBCHEM 23615305 NIL taltman 3448034169 NIL NIL)
CPD-6783 D-myo-inositol (2,4) bisphosphate (PUBCHEM 25245743 NIL taltman 3466375284 NIL NIL) (PUBCHEM 25203091 NIL taltman 3448034169 NIL NIL)
D-MYO-INOSITOL-34-BISPHOSPHATE D-myo-inositol (3,4)-bisphosphate ((PUBCHEM "21120281" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04063" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD-6747 D-myo-inositol (1,2) bisphosphate (PUBCHEM 25245835 NIL taltman 3466375284 NIL NIL) (PUBCHEM 25203218 NIL taltman 3448034169 NIL NIL)
CPD-6781 D-myo-inositol (1,2,3,4) tetrakisphosphate (PUBCHEM 25244337 NIL taltman 3466375284 NIL NIL) (PUBCHEM 25201091 NIL taltman 3448034169 NIL NIL)
INOSITOL-1456-TETRAKISPHOSPHATE D-myo-inositol (1,4,5,6)-tetrakisphosphate ((CHEBI "57627" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25201642" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C11555" NIL |kothari| 3456245482 NIL NIL)) NIL
CPD-6742 D-myo-inositol (1,2,5,6) tetrakisphosphate (PUBCHEM 25244938 NIL taltman 3466375284 NIL NIL) (PUBCHEM 25201947 NIL taltman 3448034169 NIL NIL)
CPD-506 D-myo-inositol (1,3,4,5)-tetrakisphosphate ((PUBCHEM "24742076" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01272" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD-505 D-myo-inositol (1,3,4,6)-tetrakisphosphate ((CHEBI "57660" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25201336" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C04477" NIL |taltman| 3459474373 NIL NIL)) NIL
CPD-178 D-myo-inositol (3,4,5,6)-tetrakisphosphate ((CHEBI "57539" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25201333" NIL |taltman| 3466375284 NIL NIL) (LIGAND-CPD "C04520" NIL |kr| 3410284649 NIL NIL)) ((LIGAND-CPD "C04520" NIL |kr| 3410284649 NIL NIL))
CPD-6782 D-myo-inositol (2,3,4) trisphosphate (PUBCHEM 25244128 NIL taltman 3466375284 NIL NIL) (PUBCHEM 25200766 NIL taltman 3448034169 NIL NIL)
INOSITOL-1-4-5-TRISPHOSPHATE D-myo-inositol (1,4,5)-trisphosphate ((CHEBI "203600" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "21761708" NIL |taltman| 3466375284 NIL NIL) (|Wikipedia| "Inositol_triphosphate" NIL |caspi| 3464111436 NIL NIL) (LIGAND-CPD "C01245" NIL |taltman| 3459474373 NIL NIL) (CAS "85166-31-0" NIL |hopkinso| 3309792823 NIL NIL) (CAS "88269-39-0" NIL |hopkinso| 3309792823 NIL NIL)) ((CAS "85166-31-0" NIL |hopkinso| 3309792823 NIL NIL) (CAS "88269-39-0" NIL |hopkinso| 3309792823 NIL NIL))
CPD-6681 D-myo-inositol (3,4,6)-trisphosphate (PUBCHEM 25200986 NIL taltman 3466375284 NIL NIL) NIL
CPD-6745 D-myo-inositol (1,2,3) trisphosphate (PUBCHEM 25244812 NIL taltman 3466375284 NIL NIL) (PUBCHEM 25201761 NIL taltman 3448034169 NIL NIL)
CPD-6744 D-myo-inositol (1,2,6) trisphosphate (PUBCHEM 25244400 NIL taltman 3466375284 NIL NIL) (PUBCHEM 25201188 NIL taltman 3448034169 NIL NIL)
INOSITOL-1-3-4-TRIPHOSPHATE D-myo-inositol (1,3,4)-trisphosphate ((CHEBI "58414" NIL |taltman| 3498180761 NIL NIL) (PUBCHEM "25201948" NIL |taltman| 3466375285 NIL NIL) (LIGAND-CPD "C01243" NIL |taltman| 3459474373 NIL NIL)) NIL
Reactions
225 Reactions have equation differences between MaizeCyc and PlantCyc.
ID Name Slot MaizeCyc Value PlantCyc Value
GLUTATHIONE-SYN-RXN glycine + L-γ-glutamylcysteine + ATP → glutathione + phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
GLUTCYSLIG-RXN L-cysteine + L-glutamate + ATP → L-γ-glutamylcysteine + phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
SAICARSYN-RXN ATP + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate + L-aspartate → ADP + phosphate + 5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
GLUTAMINESYN-RXN ammonia + L-glutamate + ATP → L-glutamine + ADP + phosphate RIGHT (GLN ADP |Pi|) (PROTON GLN ADP |Pi|)
NAD-SYNTH-NH3-RXN ammonia + ATP + nicotinate adenine dinucleotide → AMP + diphosphate + NAD+ RIGHT (AMP PPI NAD) (PROTON AMP PPI NAD)
FGAMSYN-RXN ATP + 5'-phosphoribosyl-N-formylglycineamide + L-glutamine + H2O → L-glutamate + ADP + phosphate + 5-phosphoribosyl-N-formylglycineamidine + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
CARBPSYN-RXN 2 ATP + L-glutamine + bicarbonate + H2O → L-glutamate + 2 ADP + phosphate + carbamoyl-phosphate + 2 H+ RIGHT Annot. on value PROTON, COEFFICIENT: (2); Annot. on value PROTON, COEFFICIENT: (4);
NAD-SYNTH-GLN-RXN ATP + nicotinate adenine dinucleotide + L-glutamine + H2O → L-glutamate + AMP + diphosphate + NAD+ + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
ASNSYNB-RXN L-glutamine + L-aspartate + ATP + H2O → L-glutamate + L-asparagine + diphosphate + AMP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
6.3.5.7-RXN L-glutamine + L-glutamyl-tRNAGln + ATP → L-glutamate + L-glutaminyl-tRNAgln + phosphate + ADP RIGHT (GLT |Charged-GLN-tRNAs| |Pi| ADP) (GLT GLUTAMINYL-TRNA-GLN |Pi| ADP)
LEFT (GLN |L-glutamyl-tRNAGln| ATP) (GLN GLUTAMYL-TRNA-GLN ATP)
GMP-SYN-GLUT-RXN xanthosine-5-phosphate + L-glutamine + ATP + H2O → L-glutamate + GMP + diphosphate + AMP + 2 H+ RIGHT Annot. on value PROTON, COEFFICIENT: (2); Annot. on value PROTON, COEFFICIENT: (3);
CTPSYN-RXN ATP + UTP + L-glutamine + H2O → ADP + phosphate + CTP + L-glutamate + 2 H+ RIGHT Annot. on value PROTON, COEFFICIENT: (2); Annot. on value PROTON, COEFFICIENT: (3);
GLYRIBONUCSYN-RXN 5-phospho-β-D-ribosyl-amine + ATP + glycine → ADP + phosphate + 5-phospho-ribosyl-glycineamide + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
6.3.4.16-RXN ammonia + CO2 + 2 ATP + H2O → phosphate + carbamoyl-phosphate + 2 ADP + 2 H+ RIGHT Annot. on value PROTON, COEFFICIENT: (2); Annot. on value PROTON, COEFFICIENT: (4);
ARGSUCCINSYN-RXN L-aspartate + L-citrulline + ATP → L-arginino-succinate + diphosphate + AMP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RXN-10 O-ureidohomoserine + L-aspartate + ATP = canavaninosuccinate + AMP + diphosphate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
FORMATETHFLIG-RXN ATP + formate + tetrahydrofolate = ADP + phosphate + 10-formyl-tetrahydrofolate LEFT (ATP FORMATE THF) (PROTON ATP FORMATE THF)
DETHIOBIOTIN-SYN-RXN CO2 + 7,8-diaminopelargonate + ATP → dethiobiotin + phosphate + ADP + 3 H+ RIGHT Annot. on value PROTON, COEFFICIENT: (3); Annot. on value PROTON, COEFFICIENT: (4);
AIRS-RXN ATP + 5-phosphoribosyl-N-formylglycineamidine → ADP + phosphate + 5-aminoimidazole ribonucleotide + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
5-FORMYL-THF-CYCLO-LIGASE-RXN ATP + 5-formyl-tetrahydrofolate = 5,10-methenyltetrahydrofolate + ADP + phosphate LEFT (5-FORMYL-THF ATP) (PROTON 5-FORMYL-THF ATP)
PROPIONATE--COA-LIGASE-RXN propionate + ATP + coenzyme A → propanoyl-CoA + diphosphate + AMP RIGHT (PROPIONYL-COA PPI AMP) (PROTON PROPIONYL-COA PPI AMP)
ACETATE--COA-LIGASE-RXN acetate + ATP + coenzyme A → acetyl-CoA + diphosphate + AMP RIGHT (ACETYL-COA PPI AMP) (PROTON ACETYL-COA PPI AMP)
RXN-10695 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoate + ATP + coenzyme A → OPC8-CoA + AMP + diphosphate RIGHT (CPD-11517 AMP PPI) (PROTON CPD-11517 AMP PPI)
SUCCCOASYN-RXN succinate + ATP + coenzyme A ← succinyl-CoA + ADP + phosphate RIGHT (SUC-COA ADP |Pi|) (PROTON SUC-COA ADP |Pi|)
RXN-7614 ATP + o-succinylbenzoate + coenzyme A → 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA + ADP + phosphate RIGHT (CPD-6972 ADP |Pi|) (PROTON CPD-6972 ADP |Pi|)
RXN-9623 palmitate + ATP + coenzyme A = palmitoyl-CoA + diphosphate + AMP RIGHT (PALMITYL-COA PPI AMP) (PROTON PALMITYL-COA PPI AMP)
RXN-9644 oleate + ATP + coenzyme A → oleoyl-CoA + AMP + diphosphate RIGHT (OLEOYL-COA AMP PPI) (OLEOYL-COA AMP PPI PROTON)
RXN-1126 trans-caffeate + ATP + coenzyme A → caffeoyl-CoA + AMP + diphosphate RIGHT (CAFFEOYL-COA AMP PPI) (CAFFEOYL-COA AMP PPI PROTON)
RXN-2001 trans-cinnamate + ATP + coenzyme A → (E)-cinnamoyl-CoA + AMP + diphosphate RIGHT (CINNAMOYL-COA AMP PPI) (CINNAMOYL-COA WATER)
LEFT (CPD-674 CO-A ATP) (PROTON CPD-674 CO-A)
TRYPTOPHAN--TRNA-LIGASE-RXN L-tryptophan + tRNAtrp + ATP + H+ → AMP + diphosphate + L-tryptophanyl-tRNAtrp LEFT (PROTON TRP |TRP-tRNAs| ATP) (|TRP-tRNAs| TRP ATP)
CYSTEINE--TRNA-LIGASE-RXN tRNAcys + L-cysteine + ATP + H+ → L-cysteinyl-tRNAcys + diphosphate + AMP LEFT (PROTON |CYS-tRNAs| CYS ATP) (|CYS-tRNAs| CYS ATP)
ASPARAGINE--TRNA-LIGASE-RXN tRNAasn + L-asparagine + ATP + H+ → L-asparaginyl-tRNAasn + diphosphate + AMP LEFT (PROTON |ASN-tRNAs| ASN ATP) (|ASN-tRNAs| ASN ATP)
LYSINE--TRNA-LIGASE-RXN L-lysine + tRNAlys + ATP + H+ → L-lysyl-tRNAlys + diphosphate + AMP LEFT (PROTON LYS |LYS-tRNAs| ATP) (|LYS-tRNAs| LYS ATP)
ASPARTATE--TRNA-LIGASE-RXN tRNAasp + L-aspartate + ATP + H+ → L-aspartyl-tRNAasp + diphosphate + AMP LEFT (PROTON |ASP-tRNAs| L-ASPARTATE ATP) (|ASP-tRNAs| L-ASPARTATE ATP)
ALANINE--TRNA-LIGASE-RXN tRNAala + L-alanine + ATP + H+ → L-alanyl-tRNAala + diphosphate + AMP LEFT (PROTON |ALA-tRNAs| L-ALPHA-ALANINE ATP) (|ALA-tRNAs| L-ALPHA-ALANINE ATP)
GLUTAMINE--TRNA-LIGASE-RXN tRNAgln + L-glutamine + ATP + H+ → L-glutaminyl-tRNAgln + diphosphate + AMP LEFT (PROTON |GLN-tRNAs| GLN ATP) (|GLN-tRNAs| GLN ATP)
HISTIDINE--TRNA-LIGASE-RXN tRNAhis + L-histidine + ATP + H+ → L-histidyl-tRNAhis + diphosphate + AMP LEFT (PROTON |HIS-tRNAs| HIS ATP) (|HIS-tRNAs| HIS ATP)
LEUCINE--TRNA-LIGASE-RXN tRNAleu + L-leucine + ATP + H+ → L-leucyl-tRNAleu + diphosphate + AMP LEFT (PROTON |LEU-tRNAs| LEU ATP) (LEU |LEU-tRNAs| ATP)
PHENYLALANINE--TRNA-LIGASE-RXN tRNAphe + L-phenylalanine + ATP + H+ → L-phenylalanyl-tRNAphe + diphosphate + AMP LEFT (PROTON |PHE-tRNAs| PHE ATP) (|PHE-tRNAs| PHE ATP)
ISOLEUCINE--TRNA-LIGASE-RXN tRNAile + L-isoleucine + ATP + H+ → L-isoleucyl-tRNAile + diphosphate + AMP LEFT (PROTON |ILE-tRNAs| ILE ATP) (|ILE-tRNAs| ILE ATP)
METHIONINE--TRNA-LIGASE-RXN tRNAmet + L-methionine + ATP + H+ → L-methionyl-tRNAmet + diphosphate + AMP LEFT (PROTON |MET-tRNAs| MET ATP) (|MET-tRNAs| MET ATP)
ARGININE--TRNA-LIGASE-RXN tRNAarg + L-arginine + ATP + H+ → L-arginyl-tRNAarg + diphosphate + AMP LEFT (PROTON |ARG-tRNAs| ARG ATP) (|ARG-tRNAs| ARG ATP)
THREONINE--TRNA-LIGASE-RXN tRNAthr + L-threonine + ATP + H+ → L-threonyl-tRNAthr + diphosphate + AMP LEFT (PROTON |THR-tRNAs| THR ATP) (|THR-tRNAs| THR ATP)
VALINE--TRNA-LIGASE-RXN tRNAval + L-valine + ATP + H+ → L-valyl-tRNAval + diphosphate + AMP LEFT (PROTON |VAL-tRNAs| VAL ATP) (|VAL-tRNAs| VAL ATP)
PROLINE--TRNA-LIGASE-RXN tRNApro + L-proline + ATP + H+ → L-prolyl-tRNApro + diphosphate + AMP LEFT (PROTON |PRO-tRNAs| PRO ATP) (PRO |PRO-tRNAs| ATP)
GLYCINE--TRNA-LIGASE-RXN tRNAgly + glycine + ATP + H+ → glycyl-tRNAgly + diphosphate + AMP LEFT (PROTON |GLY-tRNAs| GLY ATP) (|GLY-tRNAs| GLY ATP)
TYROSINE--TRNA-LIGASE-RXN tRNAtyr + L-tyrosine + ATP + H+ → L-tyrosyl-tRNAtyr + diphosphate + AMP LEFT (PROTON |TYR-tRNAs| TYR ATP) (TYR |TYR-tRNAs| ATP)
SERINE--TRNA-LIGASE-RXN tRNAser + L-serine + ATP + H+ → L-seryl-tRNAser + diphosphate + AMP LEFT (PROTON |SER-tRNAs| SER ATP) (|SER-tRNAs| SER ATP)
RXN1F-20 ATP + protoporphyrin IX + Mg2+ + H2O → Mg-protoporphyrin + phosphate + ADP + 3 H+ RIGHT Annot. on value PROTON, COEFFICIENT: (3); Annot. on value PROTON, COEFFICIENT: (4);
ACETYL-COA-CARBOXYLTRANSFER-RXN ATP + acetyl-CoA + bicarbonate → malonyl-CoA + phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
METHYLCROTONYL-COA-CARBOXYLASE-RXN ATP + 3-methylcrotonyl-CoA + bicarbonate → ADP + phosphate + 3-methylglutaconyl-CoA + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
PSII-RXN 4 hν + 2 a plastoquinone + 2 H2O → 2 a plastoquinol + oxygen RIGHT (OXYGEN-MOLECULE PLASTOQUINOL-1) (WATER)
LEFT (WATER |Light| PLASTOQUINONE) (OXYGEN-MOLECULE PROTON E-)
RXN-3541 2 L-ascorbate + oxygen + 4 H+ = 2 monodehydroascorbate + 2 H2O RIGHT Annot. on value CPD-318, COEFFICIENT: (2); Annot. on value CPD-318, COEFFICIENT: NIL;
LEFT Annot. on value PROTON, COEFFICIENT: (4);Annot. on value ASCORBATE, COEFFICIENT: (2); Annot. on value PROTON, COEFFICIENT: (5);Annot. on value ASCORBATE, COEFFICIENT: NIL;
1.5.1.20-RXN NAD+ + 5-methyl-tetrahydrofolate ← NADH + 5,10-methylenetetrahydropteroyl mono-L-glutamate + H+ RIGHT (METHYLENE-THF PROTON NADH) (METHYLENE-THF NADH-P-OR-NOP PROTON)
LEFT (5-METHYL-THF NAD) (5-METHYL-THF NAD-P-OR-NOP)
DIHYDROFOLATEREDUCT-RXN NADP+ + tetrahydrofolate ← NADPH + 7,8-dihydrofolate monoglutamate + H+ RIGHT (PROTON NADPH DIHYDROFOLATE) (NADPH DIHYDROFOLATE)
1.5.1.8-RXN L-saccharopine + NADP+ + H2O ← L-lysine + 2-oxoglutarate + NADPH + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (5);
1.5.1.9-RXN L-saccharopine + NAD+ + H2O → L-glutamate + 2-aminoadipate-6-semialdehyde + NADH + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (6);
RXN-821 L-proline + an oxidized electron acceptor → (S)-1-pyrroline-5-carboxylate + a reduced electron acceptor RIGHT (L-DELTA1-PYRROLINE_5-CARBOXYLATE |Donor-H2|) (L-DELTA1-PYRROLINE_5-CARBOXYLATE FADH2)
LEFT (PRO |Acceptor|) (PRO FAD)
1.6.5.4-RXN 2 monodehydroascorbate + NADH = 2 L-ascorbate + NAD+ + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (3);
RXN-3522 2 monodehydroascorbate + NADPH → 2 L-ascorbate + NADP+ + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (3);
MAL-DEH-GLYOX-RXN (S)-malate + NAD+ → oxaloacetate + NADH + H+ RIGHT (PROTON OXALACETIC_ACID NADH) (OXALACETIC_ACID NADH)
BHBDCLOS-RXN (R)-3-hydroxybutanoyl-CoA + NAD+ = acetoacetyl-CoA + NADH + H+ RIGHT (ACETOACETYL-COA NADH PROTON) (CPD-650 NAD)
LEFT (CPD-650 NAD) (PROTON ACETOACETYL-COA NADH)
3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN (S)-3-hydroxy-isobutyrate + NAD+ → NADH + (S)-methylmalonate-semialdehyde + H+ LEFT (CPD-12175 NAD) (3-HYDROXY-ISOBUTYRATE NAD)
GLYCERATE-DEHYDROGENASE-RXN D-glycerate + NAD+ ← hydroxypyruvate + NADH + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
1.1.1.285-RXN 2'-deoxymugineic acid + NAD(P)+ ← 3''-deamino-3''-oxonicotianamine + NAD(P)H + H+ RIGHT (CPD-7228 NADH-P-OR-NOP PROTON) (CPD-7227 NADH-P-OR-NOP)
LEFT (CPD-7227 NAD-P-OR-NOP) (CPD-7228 NAD-P-OR-NOP)
RXN-7644 D-sorbitol + NAD+ → D-fructose + NADH + H+ RIGHT (FRU NADH PROTON) (FRU NADH)
OHACYL-COA-DEHYDROG-RXN a (3S)-3-hydroxyacyl-CoA + NAD+ → a 3-oxoacyl-CoA + NADH + H+ RIGHT (3-KETOACYL-COA NADH PROTON) (NADH 3-KETOACYL-COA)
RXN-3521 2 L-ascorbate + hydrogen peroxide + 2 H+ → 2 monodehydroascorbate + 2 H2O LEFT Annot. on value PROTON, COEFFICIENT: (2); Annot. on value PROTON, COEFFICIENT: (4);
RXN-1021 a very long-chain aldehyde + NADP+ + coenzyme A ← a very long chain fatty acyl-CoA + NADPH + H+ LEFT (|Very-Long-Chain-Aldehydes| CO-A NADP) (|Fatty-Aldehydes| NADP)
RXNQT-4192 a very long chain fatty acyl-CoA + NADPH + H+ → a very long chain alcohol + NADP+ + coenzyme A RIGHT (|Very-Long-Chain-Alcohols| NADP CO-A) (|aprimaryalcohol| NADP CO-A)
ALLYSINE-DEHYDROG-RXN 2-aminoadipate-6-semialdehyde + NAD+ + H2O = 2-aminoadipate + NADH + 2 H+ RIGHT Annot. on value PROTON, COEFFICIENT: (2); Annot. on value PROTON, COEFFICIENT: NIL;
RXN-4142 a fatty aldehyde + NAD+ + H2O = a fatty acid + NADH + H+ RIGHT Annot. on value Fatty-Acids, NAME-SLOT: NIL; Annot. on value Fatty-Acids, NAME-SLOT: (N-1-NAME);
1.2.1.27-RXN methylmalonate semialdehyde + NAD+ + coenzyme A + H2O = propanoyl-CoA + bicarbonate + NADH + H+ LEFT (CPD-12179 CO-A NAD WATER) (CH3-MALONATE-S-ALD CO-A NAD WATER)
PROPCOASYN-RXN propanoyl-CoA + an oxidized electron-transfer flavoprotein → acrylyl-CoA + a reduced electron-transfer flavoprotein RIGHT (ACRYLYL-COA |ETF-Reduced|) (PROTON FAD PROPIONYL-COA)
LEFT (PROPIONYL-COA |ETF-Oxidized|) (FADH2 ACRYLYL-COA)
RXN-7711 a long-chain 2,3,4-saturated fatty acyl CoA + NADP+ ← a long-chain trans-2,3-dehydroacyl-CoA + NADPH + H+ RIGHT (|Long-Chain-Trans-23-Dehydroacyl-CoA| NADPH PROTON) (|Long-Chain-Trans-23-Dehydroacyl-CoA| NADP)
LEFT (|Long-Chain-234-Saturated-acyl-CoAs| NADP) (|Long-Chain-234-Saturated-acyl-CoAs| NADPH)
RXN-9241 2-nonaprenyl-6-methoxyphenol + oxygen + 2 H+ → 2-methoxy-6-all trans-nonaprenyl-2-methoxy-1,4-benzoquinol + H2O LEFT Annot. on value PROTON, COEFFICIENT: (2); Annot. on value PROTON, COEFFICIENT: (4);
RXN-7677 7-hydroxy-chlorophyllide a + NADPH + oxygen → chlorophyllide b + NADP+ + 2 H2O LEFT (CPD-7015 OXYGEN-MOLECULE NADPH) (PROTON CPD-7015 OXYGEN-MOLECULE NADPH)
RXN-11324 laurate + NADPH + oxygen + H+ → ω-hydroxylaurate + NADP+ + H2O RIGHT (CPD-12282 NADP WATER) (PROTON CPD-12282 NADPH)
LEFT (DODECANOATE OXYGEN-MOLECULE NADPH PROTON) (DODECANOATE WATER NADP)
RXN-9278 nonaprenyl-4-hydroxybenzoate + NADPH + oxygen + H+ → 3,4-dihydroxy-5-all-trans-nonaprenylbenzoate + NADP+ + H2O RIGHT (CPD-9896 WATER NADP) (CPD-9896 WATER)
LEFT (NONAPRENYL-4-HYDROXYBENZOATE OXYGEN-MOLECULE NADPH PROTON) (PROTON NONAPRENYL-4-HYDROXYBENZOATE OXYGEN-MOLECULE)
RXN-6524 GA44 (open lactone form) + 2-oxoglutarate + oxygen + H+ → GA38 + succinate + CO2 + H2O LEFT (PROTON CPD-10332 2-KETOGLUTARATE OXYGEN-MOLECULE) (CPD-10332 2-KETOGLUTARATE OXYGEN-MOLECULE)
RXN-9243 6-methoxy-5-methyl-2-all-trans-nonaprenyl-1,4-benzoquinol + a reduced electron acceptor + oxygen → 3-demethylubiquinol-9 + an oxidized electron acceptor + H2O RIGHT (CPD-7158 WATER |Acceptor|) (CPD-7158 WATER)
LEFT (CPD-9872 OXYGEN-MOLECULE |Donor-H2|) (PROTON CPD-9872 OXYGEN-MOLECULE)
RXN-7838 a (3R)-3-hydroxyacyl-CoA ← a cis-2-enoyl-CoA + H2O RIGHT (|Cis-2-enoyl-CoAs| WATER) (D-3-HYDROXYACYL-COA)
LEFT (D-3-HYDROXYACYL-COA) (|Cis-2-enoyl-CoAs| WATER)
RXN-10705 OPC4-3-hydroxyacyl-CoA ← OPC4-trans-2-enoyl-CoA + H2O RIGHT (CPD-11526 WATER) (CPD-11527)
LEFT (CPD-11527) (CPD-11526 WATER)
RXN-10704 OPC6-3-hydroxyacyl-CoA ← OPC6-trans-2-enoyl-CoA + H2O RIGHT (CPD-11522 WATER) (CPD-11523)
LEFT (CPD-11523) (CPD-11522 WATER)
TIGLYLCOA-HYDROXY-RXN 2-methyl-3-hydroxybutyryl-CoA ← 2-methyl-crotonyl-CoA + H2O RIGHT (CPD-1083 WATER) (2-METHYL-3-HYDROXY-BUTYRYL-COA)
LEFT (2-METHYL-3-HYDROXY-BUTYRYL-COA) (CPD-1083 WATER)
RXN-11244 3-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA ← 4-coumaroyl-CoA + H2O RIGHT (P-COUMAROYL-COA WATER) (CPD-12199)
LEFT (CPD-12199) (P-COUMAROYL-COA WATER)
RXN-10697 OPC8-3-hydroxyacyl-CoA ← OPC8-trans-2-enoyl-CoA + H2O RIGHT (CPD-11518 WATER) (CPD-11519)
LEFT (CPD-11519) (CPD-11518 WATER)
METHYLACYLYLCOA-HYDROXY-RXN (S)-3-hydroxy-isobutyryl-CoA ← methylacrylyl-CoA + H2O RIGHT (METHACRYLYL-COA WATER) (3-HYDROXY-ISOBUTYRYL-COA)
LEFT (CPD-12173) (METHACRYLYL-COA WATER)
RXN0-5224 bicarbonate + H+ ← CO2 + H2O RIGHT (CARBON-DIOXIDE WATER) (HCO3 PROTON)
LEFT (HCO3 PROTON) (CARBON-DIOXIDE WATER)
2PGADEHYDRAT-RXN 2-phospho-D-glycerate = phosphoenolpyruvate + H2O RIGHT (PHOSPHO-ENOL-PYRUVATE WATER) (PROTON PHOSPHO-ENOL-PYRUVATE WATER)
PYRIMSYN1-RXN 5-aminoimidazole ribonucleotide + S-adenosyl-L-methionine → hydroxymethylpyrimidine phosphate + 5'-deoxyadenosine + L-methionine + formate + carbon monoxide + 3 H+ RIGHT (AMINO-HYDROXYMETHYL-METHYL-PYR-P CH33ADO MET FORMATE CARBON-MONOXIDE PROTON) (AMINO-HYDROXYMETHYL-METHYL-PYR-P CH33ADO MET)
RXN-1025 a very long-chain aldehyde → an alkane + carbon monoxide LEFT Very-Long-Chain-Aldehydes Fatty-Aldehydes
PEPCARBOXYKIN-RXN oxaloacetate + ATP → CO2 + phosphoenolpyruvate + ADP RIGHT (CARBON-DIOXIDE PHOSPHO-ENOL-PYRUVATE ADP) (PROTON CARBON-DIOXIDE PHOSPHO-ENOL-PYRUVATE ADP)
PHOSPHASERDECARB-RXN an L-1-phosphatidylserine + H+ → an L-1-phosphatidyl-ethanolamine + CO2 LEFT (L-1-PHOSPHATIDYL-SERINE PROTON) (L-1-PHOSPHATIDYL-SERINE)
PEPSYNTH-RXN pyruvate + ATP + H2O → phosphate + phosphoenolpyruvate + AMP + 2 H+ RIGHT Annot. on value PROTON, COEFFICIENT: (2); Annot. on value PROTON, COEFFICIENT: (3);
PYRUVATEORTHOPHOSPHATE-DIKINASE-RXN pyruvate + phosphate + ATP → phosphoenolpyruvate + AMP + diphosphate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
PHOSPHASERSYN-RXN a CDP-diacylglycerol + L-serine → CMP + an L-1-phosphatidylserine + H+ RIGHT (CMP L-1-PHOSPHATIDYL-SERINE PROTON) (CMP L-1-PHOSPHATIDYL-SERINE)
RXN-5781 a 1,2-diacylglycerol + CDP-choline → a phosphatidylcholine + CMP + H+ RIGHT (PHOSPHATIDYLCHOLINE CMP PROTON) (PHOSPHATIDYLCHOLINE CMP)
PHOSPHAGLYPSYN-RXN a CDP-diacylglycerol + sn-glycerol-3-phosphate → CMP + an L-1-phosphatidylglycerol-phosphate + H+ RIGHT (CMP L-1-PHOSPHATIDYL-GLYCEROL-P PROTON) (L-1-PHOSPHATIDYL-GLYCEROL-P CMP)
GLUC1PADENYLTRANS-RXN α-D-glucose 1-phosphate + ATP + H+ → ADP-α-D-glucose + diphosphate LEFT (PROTON GLC-1-P ATP) (GLC-1-P ATP)
SULFATE-ADENYLYLTRANS-RXN sulfate + ATP + H+ → adenosine 5'-phosphosulfate + diphosphate LEFT (PROTON SULFATE ATP) (SULFATE ATP)
FADSYN-RXN FMN + ATP + H+ → FAD + diphosphate LEFT (PROTON FMN ATP) (FMN ATP)
CDPDIGLYSYN-RXN CTP + a 1,2-diacylglycerol-3-phosphate + H+ → a CDP-diacylglycerol + diphosphate LEFT (CTP L-PHOSPHATIDATE PROTON) (CTP L-PHOSPHATIDATE)
PANTEPADENYLYLTRAN-RXN 4'-phosphopantetheine + ATP + H+ → dephospho-CoA + diphosphate LEFT (PROTON PANTETHEINE-P ATP) (PANTETHEINE-P ATP)
NICONUCADENYLYLTRAN-RXN ATP + nicotinate mononucleotide + H+ → diphosphate + nicotinate adenine dinucleotide LEFT (PROTON ATP NICOTINATE_NUCLEOTIDE) (ATP NICOTINATE_NUCLEOTIDE)
H2PTERIDINEPYROPHOSPHOKIN-RXN 6-hydroxymethyl-7,8-dihydropterin + ATP → 6-hydroxymethyl-dihydropterin diphosphate + AMP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
PRPPSYN-RXN ATP + D-ribose-5-phosphate → 5-phospho-α-D-ribose 1-diphosphate + AMP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
THIAMIN-PYROPHOSPHOKINASE-RXN thiamin + ATP → thiamine diphosphate + AMP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
ADENYL-KIN-RXN AMP + ATP → 2 ADP RIGHT (ADP) (PROTON ADP)
PHOSPHOMEVALONATE-KINASE-RXN mevalonate-5-phosphate + ATP → mevalonate-diphosphate + ADP RIGHT (CPD-641 ADP) (PROTON CPD-641 ADP)
PYRIMSYN3-RXN hydroxymethylpyrimidine phosphate + ATP → 4-amino-5-hydroxymethyl-2-methylpyrimidine-pyrophosphate + ADP RIGHT (AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP ADP) (PROTON AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP ADP)
UDPKIN-RXN UDP + ATP → UTP + ADP RIGHT (UTP ADP) (PROTON UTP ADP)
DUDPKIN-RXN dUDP + ATP → dUTP + ADP RIGHT (DUTP ADP) (PROTON DUTP ADP)
CDPKIN-RXN CDP + ATP = CTP + ADP RIGHT (CTP ADP) (PROTON CTP ADP)
DGDPKIN-RXN dGDP + ATP = dGTP + ADP RIGHT (DGTP ADP) (PROTON DGTP ADP)
DCDPKIN-RXN dCDP + ATP → dCTP + ADP RIGHT (DCTP ADP) (PROTON DCTP ADP)
DTDPKIN-RXN dTDP + ATP → dTTP + ADP RIGHT (TTP ADP) (PROTON TTP ADP)
GDPKIN-RXN GDP + ATP = GTP + ADP RIGHT (GTP ADP) (PROTON GTP ADP)
DTMPKI-RXN ATP + dTMP → ADP + dTDP RIGHT (ADP TDP) (PROTON ADP TDP)
RXN-7913 ATP + dCMP = ADP + dCDP RIGHT (ADP DCDP) (PROTON ADP DCDP)
CMPKI-RXN ATP + CMP = ADP + CDP RIGHT (ADP CDP) (PROTON ADP CDP)
GUANYL-KIN-RXN GMP + ATP = GDP + ADP RIGHT (GDP ADP) (PROTON GDP ADP)
PHOSGLYPHOS-RXN 3-phospho-D-glycerate + ATP = 1,3-bisphospho-D-glycerate + ADP RIGHT (DPG ADP) (PROTON DPG ADP)
ASPARTATEKIN-RXN L-aspartate + ATP → L-aspartyl-4-phosphate + ADP RIGHT (L-BETA-ASPARTYL-P ADP) (PROTON L-BETA-ASPARTYL-P ADP)
CARBAMATE-KINASE-RXN ammonia + CO2 + ATP ← carbamoyl-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
GLUTKIN-RXN L-glutamate + ATP → L-glutamate-5-phosphate + ADP RIGHT (L-GLUTAMATE-5-P ADP) (PROTON L-GLUTAMATE-5-P ADP)
ACETYLGLUTKIN-RXN N-acetyl-L-glutamate + ATP → N-acetylglutamyl-phosphate + ADP RIGHT (N-ACETYL-GLUTAMYL-P ADP) (PROTON N-ACETYL-GLUTAMYL-P ADP)
5-METHYLTHIORIBOSE-KINASE-RXN ATP + S-methyl-5-thio-D-ribose → ADP + 5-methylthioribose-1-phosphate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
2.7.1.133-RXN D-myo-inositol (1,3,4)-trisphosphate + ATP → D-myo-inositol (1,3,4,6)-tetrakisphosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
SHIKIMATE-KINASE-RXN shikimate + ATP → shikimate-3-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RIBOKIN-RXN D-ribose + ATP = D-ribose-5-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
MYO-INOSITOL-1-KINASE-RXN myo-inositol + ATP → 1D-myo-inositol (3)-monophosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
HOMOSERKIN-RXN L-homoserine + ATP → O-phospho-L-homoserine + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
GLYCEROL-KIN-RXN glycerol + ATP → sn-glycerol-3-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
PEPDEPHOS-RXN pyruvate + ATP ← phosphoenolpyruvate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
XYLULOKIN-RXN D-xylulose + ATP → D-xylulose-5-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RIBOFLAVINKIN-RXN riboflavin + ATP → FMN + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
SPHINGANINE-KINASE-RXN sphinganine + ATP → sphinganine 1-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
GALACTOKIN-RXN α-D-galactose + ATP → α-D-galactose 1-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
6PFRUCTPHOS-RXN ATP + D-fructose-6-phosphate → ADP + fructose-1,6-bisphosphate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
THIAZOLSYN3-RXN ATP + 4-methyl-5-(β-hydroxyethyl)thiazole = ADP + 4-methyl-5-(2-phosphonooxyethyl)thiazole + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
ADENYLYLSULFKIN-RXN adenosine 5'-phosphosulfate + ATP → phosphoadenosine-5'-phosphosulfate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
NAD-KIN-RXN NAD+ + ATP → NADP+ + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
PNKIN-RXN ATP + pyridoxine → ADP + pyridoxine-5'-phosphate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
MANNKIN-RXN D-mannose + ATP → D-mannose 6-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
OHMETPYRKIN-RXN ATP + hydroxymethylpyrimidine → ADP + hydroxymethylpyrimidine phosphate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
NADH-KINASE-RXN NADH + ATP → NADPH + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RXN-7162 D-myo-inositol (1,4,5,6)-tetrakisphosphate + ATP → D-myo-inositol (1,3,4,5,6)-pentakisphosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RXN-7184 D-myo-inositol (1,3,4,5)-tetrakisphosphate + ATP → D-myo-inositol (1,3,4,5,6)-pentakisphosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
2.7.1.148-RXN 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol + ATP → 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RXN-1685 α-D-glucose + ATP → α-D-glucose 6-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
GLUCOKIN-RXN β-D-glucose + ATP → β-D-glucose-6-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
ETHANOLAMINE-KINASE-RXN ethanolamine + ATP → phosphoryl-ethanolamine + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
CHOLINE-KINASE-RXN choline + ATP → phosphoryl-choline + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
GLY3KIN-RXN D-glycerate + ATP → 3-phospho-D-glycerate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (3);
ADENOSINE-KINASE-RXN adenosine + ATP → AMP + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
TETRAACYLDISACC4KIN-RXN lipid A disaccharide + ATP = lipid IVA + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
PYRAMKIN-RXN ATP + pyridoxamine → ADP + pyridoxamine 5'-phosphate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
PYRIDOXKIN-RXN ATP + pyridoxal → ADP + pyridoxal 5'-phosphate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
PHOSPHORIBULOKINASE-RXN D-ribulose-5-phosphate + ATP → D-ribulose-1,5-bisphosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
PANTOTHENATE-KIN-RXN (R)-pantothenate + ATP → D-4'-phosphopantothenate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RXN-8443 nicotinate riboside + ATP → nicotinate mononucleotide + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
DEPHOSPHOCOAKIN-RXN dephospho-CoA + ATP → ADP + coenzyme A + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
FRUCTOKINASE-RXN β-D-fructofuranose + ATP → D-fructose-6-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
LEFT (BETA-D-FRUCTOSE ATP) (FRU ATP)
MEVALONATE-KINASE-RXN (R)-mevalonate + ATP → mevalonate-5-phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RXN-7163 D-myo-inositol (1,3,4,5,6)-pentakisphosphate + ATP → 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
FLAVONOL-3-SULFOTRANSFERASE-RXN quercetin + phosphoadenosine-5'-phosphosulfate → adenosine 3',5'-bisphosphate + quercetin 3-sulfate + H+ RIGHT (PROTON 3-5-ADP CPD-1822) (3-5-ADP CPD-1822)
TYRAMINOTRANS-RXN L-tyrosine + 2-oxoglutarate = 4-hydroxyphenylpyruvate + L-glutamate RIGHT (P-HYDROXY-PHENYLPYRUVATE GLT) (TYR 2-KETOGLUTARATE)
LEFT (TYR 2-KETOGLUTARATE) (P-HYDROXY-PHENYLPYRUVATE GLT)
RXN-7737 L,L-diaminopimelate + 2-oxoglutarate ← tetrahydrodipicolinate + L-glutamate + H2O + H+ RIGHT (DELTA1-PIPERIDEINE-2-6-DICARBOXYLATE GLT WATER PROTON) (LL-DIAMINOPIMELATE 2-KETOGLUTARATE)
LEFT (LL-DIAMINOPIMELATE 2-KETOGLUTARATE) (PROTON DELTA1-PIPERIDEINE-2-6-DICARBOXYLATE GLT WATER)
R15-RXN 2-oxo-4-methylthiobutanoate + a standard α amino acid → L-methionine + a 2-oxo acid RIGHT (MET |2-Oxo-Acids|) (MET |Keto-Acid|)
BRANCHED-CHAINAMINOTRANSFERILEU-RXN L-isoleucine + 2-oxoglutarate = L-glutamate + 2-keto-3-methyl-valerate LEFT (ILE 2-KETOGLUTARATE) (PROTON ILE 2-KETOGLUTARATE)
RXN-4303 dimethylallyl diphosphate + ATP + H+ → N6-(Δ2-isopentenyl)-adenosine 5'-triphosphate + diphosphate LEFT (PROTON CPD-4211 ATP) (CPD-4211 ATP)
RXN-7674 chlorophyllide b + phytyl diphosphate + H+ → chlorophyll b + diphosphate LEFT (PROTON CPD-7014 PHYTYL-PYROPHOSPHATE) (CPD-7014 PHYTYL-PYROPHOSPHATE)
FPPSYN-RXN geranyl diphosphate + isopentenyl diphosphate = (2E,6E)-farnesyl diphosphate + diphosphate RIGHT (FARNESYL-PP PPI) (PROTON FARNESYL-PP PPI)
GPPSYN-RXN dimethylallyl diphosphate + isopentenyl diphosphate → geranyl diphosphate + diphosphate RIGHT (GERANYL-PP PPI) (PROTON GERANYL-PP PPI)
S-ADENMETSYN-RXN ATP + L-methionine + H2O → phosphate + diphosphate + S-adenosyl-L-methionine RIGHT (|Pi| PPI S-ADENOSYLMETHIONINE) (PROTON |Pi| PPI S-ADENOSYLMETHIONINE)
RXN0-6274 dimethylallyl diphosphate + a tRNA → a tRNA containing N6-dimethylallyladenosine + diphosphate LEFT (CPD-4211 |tRNA-Holder|) (CPD-4211 |Some-tRNA|)
GLYOHMETRANS-RXN L-serine + tetrahydrofolate = glycine + 5,10-methylenetetrahydropteroyl mono-L-glutamate + H2O LEFT (SER THF) (PROTON SER THF)
GART-RXN 5-phospho-ribosyl-glycineamide + 10-formyl-tetrahydrofolate → 5'-phosphoribosyl-N-formylglycineamide + tetrahydrofolate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (3);
AICARTRANSFORM-RXN aminoimidazole carboxamide ribonucleotide + 10-formyl-tetrahydrofolate → phosphoribosyl-formamido-carboxamide + tetrahydrofolate RIGHT (THF PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE) (PROTON THF PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE)
2.1.1.64-RXN 3-demethylubiquinol-9 + S-adenosyl-L-methionine → ubiquinol-9 + S-adenosyl-L-homocysteine + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
THYMIDYLATESYN-RXN dUMP + 5,10-methylenetetrahydropteroyl mono-L-glutamate → dTMP + 7,8-dihydrofolate monoglutamate RIGHT (TMP DIHYDROFOLATE) (PROTON TMP DIHYDROFOLATE)
2.1.1.19-RXN trimethyl sulfonium + tetrahydrofolate ← dimethylsulfide + 5-methyl-tetrahydrofolate + H+ RIGHT (PROTON CPD-7670 5-METHYL-THF) (CPD-7670 5-METHYL-THF)
LEFT (THF TRIMETHYLSULFONIUM) (PROTON THF TRIMETHYLSULFONIUM)
QUERCETIN-3-O-METHYLTRANSFERASE-RXN quercetin + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + 3-O-methylquercetin + H+ RIGHT (PROTON ADENOSYL-HOMO-CYS 3457-TETRAHYDROXY-3-METHOXYFLAVONE) (ADENOSYL-HOMO-CYS 3457-TETRAHYDROXY-3-METHOXYFLAVONE)
HOMOCYSMETB12-RXN L-homocysteine + 5-methyl-tetrahydrofolate → L-methionine + tetrahydrofolate RIGHT (MET THF) (PROTON MET THF)
RXN-8262 quercetin + S-adenosyl-L-methionine → isorhamnetin + S-adenosyl-L-homocysteine + H+ RIGHT (PROTON CPD-8004 ADENOSYL-HOMO-CYS) (CPD-8004 ADENOSYL-HOMO-CYS)
GUANPRIBOSYLTRAN-RXN GMP + diphosphate ← guanine + 5-phospho-α-D-ribose 1-diphosphate RIGHT (GUANINE PRPP) (PPI GMP)
LEFT (GMP PPI) (GUANINE PRPP)
GLUTAMIDOTRANS-RXN phosphoribulosylformimino-AICAR-P + L-glutamine → L-glutamate + D-erythro-imidazole-glycerol-phosphate + aminoimidazole carboxamide ribonucleotide + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
CELLULOSE-SYNTHASE-UDP-FORMING-RXN UDP-D-glucose + (1,4-β-D-glucosyl)(n) → (1,4-β-D-glucosyl)(n+1) + UDP RIGHT (CELLULOSE UDP) (UDP |1-4-beta-D-Glucan|)
LEFT (UDP-GLUCOSE CELLULOSE) (UDP-GLUCOSE |1-4-beta-D-Glucan|)
RXN-5464 a (mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol + 2 GDP-α-D-mannose → a (mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol + 2 GDP + 2 H+ RIGHT (CPD-5164 GDP PROTON) (CPD-5163 PROTON GDP)
LEFT Annot. on value GDP-MANNOSE, COEFFICIENT: (2); Annot. on value GDP-MANNOSE, COEFFICIENT: NIL;
SUCROSE-SYNTHASE-RXN UDP-D-glucose + β-D-fructofuranose = sucrose + UDP LEFT (UDP-GLUCOSE BETA-D-FRUCTOSE) (UDP-GLUCOSE FRU)
ATP-CITRATE-PRO-S--LYASE-RXN oxaloacetate + acetyl-CoA + phosphate + ADP ← citrate + ATP + coenzyme A LEFT (OXALACETIC_ACID ACETYL-COA |Pi| ADP) (PROTON OXALACETIC_ACID ACETYL-COA |Pi| ADP)
RXNQT-4193 a very long chain alcohol + a long-chain acyl-CoA → a wax ester + coenzyme A LEFT (|Very-Long-Chain-Alcohols| |Fatty-Acyl-CoA|) (|aprimaryalcohol| |Fatty-Acyl-CoA|)
2.3.1.75-RXN an acyl-CoA + a long-chain alcohol = a long-chain ester + coenzyme A RIGHT (CO-A |Long-Chain-Esters|) (CO-A |a-long-chain-ester|)
3PGAREARR-RXN 3-phospho-D-glycerate = 2-phospho-D-glycerate LEFT (G3P) (PROTON G3P)
IPPISOM-RXN isopentenyl diphosphate → dimethylallyl diphosphate RIGHT (CPD-4211) (PROTON CPD-4211)
PRIBFAICARPISOM-RXN 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide → phosphoribulosylformimino-AICAR-P LEFT (PHOSPHORIBOSYL-FORMIMINO-AICAR-P) (PROTON PHOSPHORIBOSYL-FORMIMINO-AICAR-P)
RXN-8336 trans-caffeate → cis-caffeate RIGHT (CPD-8098) (PROTON CPD-8098)
RXN-9674 lotaustralin + H2O = (2R)-2-hydroxy-2-methylbutanenitrile + β-D-glucose RIGHT (CPD-12699 GLC) (CPD-10276 GLC)
RXN-1461 sucrose + H2O → α-D-glucose + β-D-fructofuranose RIGHT (ALPHA-GLUCOSE BETA-D-FRUCTOSE) (FRU ALPHA-GLUCOSE)
ALPHAGALACTOSID-RXN melibiose + H2O → α-D-galactose + β-D-glucose RIGHT (ALPHA-D-GALACTOSE GLC) (GLC GALACTOSE)
RXN-1223 UDP-α-D-glucose + sulfite + H+ → UDP-α-D-sulfoquinovopyranose + H2O LEFT (CPD-12575 PROTON SO3) (UDP-GLUCOSE PROTON SO3)
GTP-CYCLOHYDRO-I-RXN GTP + H2O → formate + 7,8-dihydroneopterin triphosphate + H+ RIGHT (PROTON FORMATE DIHYDRONEOPTERIN-P3) (FORMATE DIHYDRONEOPTERIN-P3)
5-OXOPROLINASE-ATP-HYDROLYSING-RXN 5-oxoproline + ATP + 2 H2O → L-glutamate + phosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
FORMYLTHFDEFORMYL-RXN 10-formyl-tetrahydrofolate + H2O → formate + tetrahydrofolate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (3);
3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN (S)-3-hydroxy-isobutyryl-CoA + H2O → (S)-3-hydroxy-isobutyrate + coenzyme A + H+ RIGHT (CPD-12175 PROTON CO-A) (3-HYDROXY-ISOBUTYRATE PROTON CO-A)
LEFT (CPD-12173 WATER) (3-HYDROXY-ISOBUTYRYL-COA WATER)
THIOESTER-RXN a 2,3,4-saturated fatty acyl CoA + H2O → a fatty acid + coenzyme A + H+ RIGHT (|Fatty-Acids| CO-A PROTON) (|Fatty-Acids| CO-A)
PHOSPHOLIPASE-A1-RXN a phosphatidylcholine + H2O → a 1-lyso-2-acyl-sn-glycero-3-phosphocholine + a carboxylate + H+ RIGHT (|2-Acylglycero-Phosphocholines| |Carboxylates| PROTON) (|2-Acylglycero-Phosphocholines| |Carboxylates|)
HISTPRATPHYD-RXN phosphoribosyl-ATP + H2O → 1-(5-phospho-D-ribosyl)-AMP + diphosphate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
H2NEOPTERINP3PYROPHOSPHOHYDRO-RXN 7,8-dihydroneopterin triphosphate + H2O → 7,8-dihydroneopterin phosphate + diphosphate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
DIHYDROOROTATE-DEHYDROGENASE-RXN an electron-transfer-related quinone + (S)-dihydroorotate → an electron-transfer-related quinol + orotate RIGHT (|ETR-Quinols| OROTATE) (|Reduced-Quinones| OROTATE)
LEFT (|ETR-Quinones| DI-H-OROTATE) (DI-H-OROTATE |Quinones|)
GCVMULTI-RXN NAD+ + glycine + tetrahydrofolate → ammonia + CO2 + NADH + 5,10-methylenetetrahydropteroyl mono-L-glutamate + H+ RIGHT (PROTON METHYLENE-THF AMMONIA CARBON-DIOXIDE NADH) (AMMONIA METHYLENE-THF CARBON-DIOXIDE NADH)
LEFT (NAD GLY THF) (PROTON NAD GLY THF)
RXN-11467 4-coumaroyl-CoA + NADPH + FADH2 → p-dihydrocoumaroyl-CoA + NADP+ + FAD + 2 H+ RIGHT Annot. on value PROTON, COEFFICIENT: (2); Annot. on value PROTON, COEFFICIENT: NIL;
RXN-1347 (3Z)-hex-3-en-ol + NAD+ ← cis-3-hexenal + NADH + H+ RIGHT (CIS-3-HEXENAL NADH PROTON) (CIS-3-HEXENOL)
LEFT (CIS-3-HEXENOL NAD) (PROTON CIS-3-HEXENAL)
RXN-7247 D-myo-inositol (1,2,3,5,6) pentakisphosphate + H2O → D-myo-inositol (1,2,3,6) tetrakisphosphate + phosphate RIGHT (CPD-6743 |Pi|) (PROTON CPD-6743 |Pi|)
RXN-7244 D-myo-inositol (1,2,5,6) tetrakisphosphate + H2O → D-myo-inositol (1,2,6) trisphosphate + phosphate RIGHT (CPD-6744 |Pi|) (PROTON CPD-6744 |Pi|)
RXN-3523 2 monodehydroascorbate → L-ascorbate + L-dehydro-ascorbate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (3);
RXN-7204 D-myo-inositol (3,4,6)-trisphosphate + ATP → D-myo-inositol (3,4,5,6)-tetrakisphosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RXN-7203 D-myo-inositol (3,4)-bisphosphate + ATP → D-myo-inositol (3,4,6)-trisphosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RXN-7202 1D-myo-inositol (3)-monophosphate + ATP → D-myo-inositol (3,4)-bisphosphate + ADP + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (2);
RXN0-5259 an electron-transfer-related quinone + 2 H+[in] + 2 e- → an electron-transfer-related quinol RIGHT ETR-Quinols Unknown-Quinols
LEFT (|ETR-Quinones| PROTON E-) (|Unknown-Quinones| PROTON E-)
RXN-6321 5,10-methenyltetrahydrofolate + H2O → 5-formyl-tetrahydrofolate + H+ RIGHT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (3);
RXN-9386 tRNAgln + L-glutamate + ATP → L-glutamyl-tRNAGln + AMP + diphosphate RIGHT (|L-glutamyl-tRNAGln| AMP PPI) (GLUTAMYL-TRNA-GLN AMP PPI)
RXN-1103 4-coumarate + NADPH + oxygen + H+ → trans-caffeate + NADP+ + H2O LEFT Annot. on value PROTON, COEFFICIENT: NIL; Annot. on value PROTON, COEFFICIENT: (3);
RXN-7301 D-myo-inositol (1,2,3,4,5)-pentakisphosphate + H2O → D-myo-inositol (1,2,3,4) tetrakisphosphate + phosphate RIGHT (CPD-6781 |Pi|) (PROTON CPD-6781 |Pi|)
44 Reactions have differences in slot EC-NUMBER between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
RXN0-5055 acetyl-CoA + a carboxylated-biotinylated-BCCP → malonyl-CoA + a biotinylated BCCP (dimer) 6.4.1.2 NIL
RXN-9720 gallocatechin + NADP+ + H2O ← leucodelphinidin + NADPH + H+ 1.17.1.3 NIL
PSII-RXN 4 hν + 2 a plastoquinone + 2 H2O → 2 a plastoquinol + oxygen 1.10.3.- NIL
BHBDCLOS-RXN (R)-3-hydroxybutanoyl-CoA + NAD+ = acetoacetyl-CoA + NADH + H+ 1.1.1.36 1.1.1.35
AMINEPHEN-RXN 2-phenylethylamine + oxygen + H2O → phenylacetaldehyde + ammonia + hydrogen peroxide + H+ 1.4.3.21 1.4.3.6
RXN-7741 primary fluorescent chlorophyll catabolite + NADP+ + H+ ← red chlorophyll catabolite + NADPH 1.3.1.80 1.-.-.-
RXN-9554 a petroselinoyl-[acp] + NADP+ ← a petrosel-2-enoyl-[acp] + NADPH 1.3.1.- NIL
RXN1F-10 chlorophyllide a + NADP+ ← monovinyl protochlorophyllide a + NADPH + H+ 1.3.1.33 NIL
RXN-7676 chlorophyllide a + NADPH + oxygen + 2 H+ → 7-hydroxy-chlorophyllide a + NADP+ + H2O 1.14.13.- 1.13.12.14
RXN-7677 7-hydroxy-chlorophyllide a + NADPH + oxygen → chlorophyllide b + NADP+ + 2 H2O 1.14.13.- 1.13.12.14
RXN-11324 laurate + NADPH + oxygen + H+ → ω-hydroxylaurate + NADP+ + H2O 1.14.13.- 1.14.14.-
RXN-9278 nonaprenyl-4-hydroxybenzoate + NADPH + oxygen + H+ → 3,4-dihydroxy-5-all-trans-nonaprenylbenzoate + NADP+ + H2O 1.14.13.- NIL
RXN-9243 6-methoxy-5-methyl-2-all-trans-nonaprenyl-1,4-benzoquinol + a reduced electron acceptor + oxygen → 3-demethylubiquinol-9 + an oxidized electron acceptor + H2O 1.14.-.- NIL
RXN-9310 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate → (1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate + pyruvate + H+ 4.2.99.20 NIL
RXN-8422 (2E,6E)-farnesyl diphosphate = (E)-β-farnesene + diphosphate 4.2.3.47 4.2.3.-
RXN-8616 (2E,6E)-farnesyl diphosphate + H2O → (3S,6E)-nerolidol + diphosphate 4.2.3.48 4.2.3.-
RXN0-2382 indole + L-serine → L-tryptophan + H2O 4.2.1.- 4.2.1.20
RXN-9553 a (R)-3-hydroxypetroselinoyl-[acp] → a petrosel-2-enoyl-[acp] + H2O 4.2.1.- NIL
PYRIMSYN1-RXN 5-aminoimidazole ribonucleotide + S-adenosyl-L-methionine → hydroxymethylpyrimidine phosphate + 5'-deoxyadenosine + L-methionine + formate + carbon monoxide + 3 H+ 4.1.99.- NIL
RXN0-2381 (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate → indole + D-glyceraldehyde-3-phosphate 4.1.2.8 NIL
RXN-9284 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate + H+ → 2-nonaprenyl-6-methoxyphenol + CO2 4.1.1.- NIL
RXN-1382 an L-1-phosphatidyl-ethanolamine + L-serine → an L-1-phosphatidylserine + ethanolamine 2.7.8.29 2.7.8.-
RXNQT-4141 GDP-L-galactose + phosphate → GDP + α-L-galactose-1-phosphate + H+ 2.7.7.69 2.7.7.-
PNKIN-RXN ATP + pyridoxine → ADP + pyridoxine-5'-phosphate + H+ 2.7.1.- 2.7.1.35
2.5.1.64-RXN isochorismate + 2-oxoglutarate + 2 H+ → 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate + CO2 2.2.1.9 2.5.1.64
RXN0-949 an octanoylated protein lipoyl-domain + 2 S-adenosyl-L-methionine + 2 S2- → a lipoylated protein lipoyl-domain + 2 5'-deoxyadenosine + 2 L-methionine 2.8.1.8 NIL
RXN-8813 isopentenyl diphosphate + all-trans-geranyl-geranyl diphosphate → geranylfarnesyl diphosphate + diphosphate + H+ 2.5.1.81 2.5.1.-
RXN-8992 all-trans-heptaprenyl diphosphate + isopentenyl diphosphate → diphosphate + all-trans-octaprenyl diphosphate + H+ 2.5.1.90 2.5.1.11
TRANS-OCTAPRENYLTRANSTRANSFERASE-RXN all-trans-octaprenyl diphosphate + isopentenyl diphosphate → all-trans-nonaprenyl diphosphate + diphosphate + H+ 2.5.1.84 2.5.1.11
LUMAZINESYN-RXN 5-amino-6-(D-ribitylamino)uracil + 1-deoxy-L-glycero-tetrulose 4-phosphate → 6,7-dimethyl-8-(1-D-ribityl)lumazine + phosphate + 2 H2O + H+ 2.5.1.78 2.5.1.-
TRANS-PENTAPRENYLTRANSFERASE-RXN geranylfarnesyl diphosphate + isopentenyl diphosphate → all-trans-hexaprenyl diphosphate + diphosphate + H+ 2.5.1.83 2.5.1.33
MMUM-RXN S-methyl-L-methionine + L-homocysteine → 2 L-methionine + H+ 2.1.1.10 2.1.1.-
RXN-5463 a (mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol + GDP-α-D-mannose → a (mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol + GDP + H+ 2.4.1.- NIL
RXN-5464 a (mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol + 2 GDP-α-D-mannose → a (mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol + 2 GDP + 2 H+ 2.4.1.131 NIL
RXN-5466 a (mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ 2.4.1.- NIL
RXN-5467 a (mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ 2.4.1.- NIL
RXN-5468 a (mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ 2.4.1.- NIL
RXN-5469 a (mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ 2.4.1.- NIL
RXN-5470 a (mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-glucosyl phosphate → a glucosyl-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ 2.4.1.- NIL
RXN-5471 a glucosyl-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-glucosyl phosphate → a (glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ 2.4.1.- NIL
RXN-5472 a (glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-glucosyl phosphate → an oligosaccharide-diphosphodolichol + a dolichyl phosphate + H+ 2.4.1.- NIL
RXN0-947 an octanoyl-[acp] + a non-lipoylated protein-lipoyl domain → an octanoylated protein lipoyl-domain + a holo-[acp] 2.3.1.181 NIL
RXN-8336 trans-caffeate → cis-caffeate 5.2.1.- 5.2.-.-
RXN-9311 1,4-dihydroxy-2-naphthoyl-CoA + H2O → 1,4-dihydroxy-2-naphthoate + coenzyme A + H+ 3.1.2.28 NIL
43 Reactions have differences in slot OFFICIAL-EC? between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
RXN0-882 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate + 2 an oxidized ferredoxin + H2O ← 2-C-methyl-D-erythritol-2,4-cyclodiphosphate + 2 a reduced ferredoxin T NIL
PSII-RXN 4 hν + 2 a plastoquinone + 2 H2O → 2 a plastoquinol + oxygen NIL NIL
RXN-3541 2 L-ascorbate + oxygen + 4 H+ = 2 monodehydroascorbate + 2 H2O NIL NIL
RXN-821 L-proline + an oxidized electron acceptor → (S)-1-pyrroline-5-carboxylate + a reduced electron acceptor T NIL
RXN-3562 vestitone + NADP+ = 2-hydroxyformononetin + NADPH + H+ T NIL
RXN-5682 L-arogenate + NADP+ → L-tyrosine + CO2 + NADPH T NIL
RXN-7676 chlorophyllide a + NADPH + oxygen + 2 H+ → 7-hydroxy-chlorophyllide a + NADP+ + H2O NIL T
RXN-7677 7-hydroxy-chlorophyllide a + NADPH + oxygen → chlorophyllide b + NADP+ + 2 H2O NIL T
RXN-9278 nonaprenyl-4-hydroxybenzoate + NADPH + oxygen + H+ → 3,4-dihydroxy-5-all-trans-nonaprenylbenzoate + NADP+ + H2O NIL NIL
RXN-9243 6-methoxy-5-methyl-2-all-trans-nonaprenyl-1,4-benzoquinol + a reduced electron acceptor + oxygen → 3-demethylubiquinol-9 + an oxidized electron acceptor + H2O NIL NIL
RXN-8422 (2E,6E)-farnesyl diphosphate = (E)-β-farnesene + diphosphate T NIL
RXN-8616 (2E,6E)-farnesyl diphosphate + H2O → (3S,6E)-nerolidol + diphosphate T NIL
PYRIMSYN1-RXN 5-aminoimidazole ribonucleotide + S-adenosyl-L-methionine → hydroxymethylpyrimidine phosphate + 5'-deoxyadenosine + L-methionine + formate + carbon monoxide + 3 H+ NIL NIL
RXN0-2381 (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate → indole + D-glyceraldehyde-3-phosphate T NIL
RXN-9284 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate + H+ → 2-nonaprenyl-6-methoxyphenol + CO2 NIL NIL
RXN-1382 an L-1-phosphatidyl-ethanolamine + L-serine → an L-1-phosphatidylserine + ethanolamine T NIL
RXNQT-4141 GDP-L-galactose + phosphate → GDP + α-L-galactose-1-phosphate + H+ T NIL
RXN-7913 ATP + dCMP = ADP + dCDP T NIL
RXN-7163 D-myo-inositol (1,3,4,5,6)-pentakisphosphate + ATP → 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate + ADP + H+ T NIL
RXN-7737 L,L-diaminopimelate + 2-oxoglutarate ← tetrahydrodipicolinate + L-glutamate + H2O + H+ T NIL
TRANS-HEXAPRENYLTRANSTRANSFERASE-RXN all-trans-hexaprenyl diphosphate + isopentenyl diphosphate → all-trans-heptaprenyl diphosphate + diphosphate + H+ T NIL
RXN-8813 isopentenyl diphosphate + all-trans-geranyl-geranyl diphosphate → geranylfarnesyl diphosphate + diphosphate + H+ T NIL
RXN-8992 all-trans-heptaprenyl diphosphate + isopentenyl diphosphate → diphosphate + all-trans-octaprenyl diphosphate + H+ T NIL
TRANS-OCTAPRENYLTRANSTRANSFERASE-RXN all-trans-octaprenyl diphosphate + isopentenyl diphosphate → all-trans-nonaprenyl diphosphate + diphosphate + H+ T NIL
LUMAZINESYN-RXN 5-amino-6-(D-ribitylamino)uracil + 1-deoxy-L-glycero-tetrulose 4-phosphate → 6,7-dimethyl-8-(1-D-ribityl)lumazine + phosphate + 2 H2O + H+ T NIL
2.5.1.39-RXN all-trans-nonaprenyl diphosphate + 4-hydroxybenzoate → nonaprenyl-4-hydroxybenzoate + diphosphate NIL NIL
TRANS-PENTAPRENYLTRANSFERASE-RXN geranylfarnesyl diphosphate + isopentenyl diphosphate → all-trans-hexaprenyl diphosphate + diphosphate + H+ T NIL
2.1.1.64-RXN 3-demethylubiquinol-9 + S-adenosyl-L-methionine → ubiquinol-9 + S-adenosyl-L-homocysteine + H+ NIL NIL
RXN-5463 a (mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol + GDP-α-D-mannose → a (mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol + GDP + H+ NIL NIL
RXN-5464 a (mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol + 2 GDP-α-D-mannose → a (mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol + 2 GDP + 2 H+ T NIL
RXN-5466 a (mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ NIL NIL
RXN-5467 a (mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ NIL NIL
RXN-5468 a (mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ NIL NIL
RXN-5469 a (mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ NIL NIL
RXN-5470 a (mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-glucosyl phosphate → a glucosyl-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ NIL NIL
RXN-5471 a glucosyl-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-glucosyl phosphate → a (glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ NIL NIL
RXN-5472 a (glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-glucosyl phosphate → an oligosaccharide-diphosphodolichol + a dolichyl phosphate + H+ NIL NIL
RXN-5462 a mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol + GDP-α-D-mannose → a (mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol + GDP + H+ T NIL
RXN-9535 a dodecanoyl-[acp] + a malonyl-[acp] → a 3-oxo-meristoyl-[acp] + CO2 + a holo-[acp] NIL NIL
ALPHAGALACTOSID-RXN melibiose + H2O → α-D-galactose + β-D-glucose NIL NIL
ALLANTOATE-DEIMINASE-RXN allantoate + H2O + H+ → S-ureidoglycine + ammonia + CO2 T NIL
RXN-9311 1,4-dihydroxy-2-naphthoyl-CoA + H2O → 1,4-dihydroxy-2-naphthoate + coenzyme A + H+ T NIL
TRIACYLGLYCEROL-LIPASE-RXN a triacylglycerol + H2O → a diacylglycerol + a carboxylate T NIL
1 Reactions have differences in slot PREDECESSORS between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
DIHYDROOROTATE-DEHYDROGENASE-RXN an electron-transfer-related quinone + (S)-dihydroorotate → an electron-transfer-related quinol + orotate (RXN0-5259 RXN0-6490) NIL
1 Reactions have differences in slot REACTION-LIST between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
DIHYDROOROTATE-DEHYDROGENASE-RXN an electron-transfer-related quinone + (S)-dihydroorotate → an electron-transfer-related quinol + orotate (RXN0-5259 RXN0-6490) NIL
1 Reactions have differences in slot PRIMARIES between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
DIHYDROOROTATE-DEHYDROGENASE-RXN an electron-transfer-related quinone + (S)-dihydroorotate → an electron-transfer-related quinol + orotate ((RXN0-5259 (E-) NIL) (RXN0-6490 NIL (E-))) NIL
668 Reactions have differences in slot COMMON-NAME between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
DIHYDROFOLATESYNTH-RXN L-glutamate + 7,8-dihydropteroate + ATP → phosphate + ADP + 7,8-dihydrofolate monoglutamate + H+ dihydrofolate synthase Dihydrofolate synthase
SAICARSYN-RXN ATP + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate + L-aspartate → ADP + phosphate + 5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole + H+ phosphoribosylaminoimidazolesuccinocarboxamide synthase Phosphoribosylaminoimidazole-succinocarboxamide synthase
FOLYLPOLYGLUTAMATESYNTH-RXN L-glutamate + ATP + tetrahydropteroyl-[γ-Glu](n) → ADP + phosphate + tetrahydropteroyl-[γ-Glu](n+1) tetrahydrofolate synthase Folylpolyglutamate synthase
P-PANTOCYSLIG-RXN D-4'-phosphopantothenate + L-cysteine + CTP → R-4'-phosphopantothenoyl-L-cysteine + diphosphate + CMP + H+ phosphopantothenate—cysteine ligase Phosphopantothenate--cysteine ligase
GLUTAMINESYN-RXN ammonia + L-glutamate + ATP → L-glutamine + ADP + phosphate glutamate—ammonia ligase Glutamate--ammonia ligase
NAD-SYNTH-NH3-RXN ammonia + ATP + nicotinate adenine dinucleotide → AMP + diphosphate + NAD+ NAD+ synthase NAD(+) synthetase
FGAMSYN-RXN ATP + 5'-phosphoribosyl-N-formylglycineamide + L-glutamine + H2O → L-glutamate + ADP + phosphate + 5-phosphoribosyl-N-formylglycineamidine + H+ phosphoribosylformylglycinamidine synthase Phosphoribosylformylglycinamidine synthase
CARBPSYN-RXN 2 ATP + L-glutamine + bicarbonate + H2O → L-glutamate + 2 ADP + phosphate + carbamoyl-phosphate + 2 H+ carbamoyl-phosphate synthase (glutamine-hydrolysing) carbamoyl-phosphate synthetase (glutamine-hydrolysing)
NAD-SYNTH-GLN-RXN ATP + nicotinate adenine dinucleotide + L-glutamine + H2O → L-glutamate + AMP + diphosphate + NAD+ + H+ NAD+ synthase (glutamine-hydrolysing) NAD(+) synthase (glutamine-hydrolysing)
ASNSYNB-RXN L-glutamine + L-aspartate + ATP + H2O → L-glutamate + L-asparagine + diphosphate + AMP + H+ asparagine synthase (glutamine-hydrolysing) Asparagine synthase (glutamine-hydrolysing)
6.3.5.7-RXN L-glutamine + L-glutamyl-tRNAGln + ATP → L-glutamate + L-glutaminyl-tRNAgln + phosphate + ADP glutaminyl-tRNA synthase (glutamine-hydrolysing) Glutaminyl-tRNA synthase (glutamine-hydrolyzing)
ADENYLOSUCCINATE-SYNTHASE-RXN L-aspartate + inosine-5'-phosphate + GTP → adenylo-succinate + phosphate + GDP + 2 H+ adenylosuccinate synthase Adenylosuccinate synthase
BIOTINLIG-RXN a BCCP + biotin + ATP → diphosphate + AMP + a biotinylated BCCP biotin—[acetyl-CoA-carboxylase] ligase Biotin--[acetyl-CoA-carboxylase] ligase
GLYRIBONUCSYN-RXN 5-phospho-β-D-ribosyl-amine + ATP + glycine → ADP + phosphate + 5-phospho-ribosyl-glycineamide + H+ phosphoribosylamine—glycine ligase Phosphoribosylamine--glycine ligase
6.3.4.16-RXN ammonia + CO2 + 2 ATP + H2O → phosphate + carbamoyl-phosphate + 2 ADP + 2 H+ carbamoyl-phosphate synthase (ammonia) carbamoyl-phosphate synthetase I
BIOTIN-CARBOXYL-RXN a biotinylated BCCP (dimer) + bicarbonate + ATP → phosphate + a carboxylated-biotinylated-BCCP + ADP biotin carboxylase Biotin carboxylase
ARGSUCCINSYN-RXN L-aspartate + L-citrulline + ATP → L-arginino-succinate + diphosphate + AMP + H+ argininosuccinate synthase Argininosuccinate synthase
FORMATETHFLIG-RXN ATP + formate + tetrahydrofolate = ADP + phosphate + 10-formyl-tetrahydrofolate formate—tetrahydrofolate ligase Formate--tetrahydrofolate ligase
DETHIOBIOTIN-SYN-RXN CO2 + 7,8-diaminopelargonate + ATP → dethiobiotin + phosphate + ADP + 3 H+ dethiobiotin synthase Dethiobiotin synthase
AIRS-RXN ATP + 5-phosphoribosyl-N-formylglycineamidine → ADP + phosphate + 5-aminoimidazole ribonucleotide + H+ phosphoribosylformylglycinamidine cyclo-ligase Phosphoribosylformylglycinamidine cyclo-ligase
PROPIONATE--COA-LIGASE-RXN propionate + ATP + coenzyme A → propanoyl-CoA + diphosphate + AMP propionate—CoA ligase Propionate--CoA ligase
ACETATE--COA-LIGASE-RXN acetate + ATP + coenzyme A → acetyl-CoA + diphosphate + AMP acetate—CoA ligase Acetate--CoA ligase
SUCCCOASYN-RXN succinate + ATP + coenzyme A ← succinyl-CoA + ADP + phosphate succinate—CoA ligase (ADP-forming) Succinate--CoA ligase (ADP-forming)
RXN-7904 a fatty acid + ATP + coenzyme A → a long-chain acyl-CoA + diphosphate + AMP long-chain-fatty-acid—CoA ligase Long-chain-fatty-acid--CoA ligase
TRYPTOPHAN--TRNA-LIGASE-RXN L-tryptophan + tRNAtrp + ATP + H+ → AMP + diphosphate + L-tryptophanyl-tRNAtrp tryptophan—tRNA ligase Tryptophan--tRNA ligase
RXN490-3616 tRNAasn + L-aspartate + ATP = L-aspartyl-tRNAasn + diphosphate + AMP Aspartate--tRNA ligase Asparagine--tRNA ligase
CYSTEINE--TRNA-LIGASE-RXN tRNAcys + L-cysteine + ATP + H+ → L-cysteinyl-tRNAcys + diphosphate + AMP cysteine—tRNA ligase Cysteine--tRNA ligase
ASPARAGINE--TRNA-LIGASE-RXN tRNAasn + L-asparagine + ATP + H+ → L-asparaginyl-tRNAasn + diphosphate + AMP asparagine—tRNA ligase Asparagine--tRNA ligase
LYSINE--TRNA-LIGASE-RXN L-lysine + tRNAlys + ATP + H+ → L-lysyl-tRNAlys + diphosphate + AMP lysine—tRNA ligase Lysine--tRNA ligase
ASPARTATE--TRNA-LIGASE-RXN tRNAasp + L-aspartate + ATP + H+ → L-aspartyl-tRNAasp + diphosphate + AMP aspartate—tRNA ligase Aspartate--tRNA ligase
ALANINE--TRNA-LIGASE-RXN tRNAala + L-alanine + ATP + H+ → L-alanyl-tRNAala + diphosphate + AMP alanine—tRNA ligase Alanine--tRNA ligase
GLUTAMINE--TRNA-LIGASE-RXN tRNAgln + L-glutamine + ATP + H+ → L-glutaminyl-tRNAgln + diphosphate + AMP glutamine—tRNA ligase Glutamine--tRNA ligase
HISTIDINE--TRNA-LIGASE-RXN tRNAhis + L-histidine + ATP + H+ → L-histidyl-tRNAhis + diphosphate + AMP histidine—tRNA ligase Histidine--tRNA ligase
LEUCINE--TRNA-LIGASE-RXN tRNAleu + L-leucine + ATP + H+ → L-leucyl-tRNAleu + diphosphate + AMP leucine—tRNA ligase Leucine--tRNA ligase
PHENYLALANINE--TRNA-LIGASE-RXN tRNAphe + L-phenylalanine + ATP + H+ → L-phenylalanyl-tRNAphe + diphosphate + AMP phenylalanine—tRNA ligase Phenylalanine--tRNA ligase
ISOLEUCINE--TRNA-LIGASE-RXN tRNAile + L-isoleucine + ATP + H+ → L-isoleucyl-tRNAile + diphosphate + AMP isoleucine—tRNA ligase Isoleucine--tRNA ligase
METHIONINE--TRNA-LIGASE-RXN tRNAmet + L-methionine + ATP + H+ → L-methionyl-tRNAmet + diphosphate + AMP methionine—tRNA ligase Methionine--tRNA ligase
ARGININE--TRNA-LIGASE-RXN tRNAarg + L-arginine + ATP + H+ → L-arginyl-tRNAarg + diphosphate + AMP arginine—tRNA ligase Arginine--tRNA ligase
THREONINE--TRNA-LIGASE-RXN tRNAthr + L-threonine + ATP + H+ → L-threonyl-tRNAthr + diphosphate + AMP threonine—tRNA ligase Threonine--tRNA ligase
VALINE--TRNA-LIGASE-RXN tRNAval + L-valine + ATP + H+ → L-valyl-tRNAval + diphosphate + AMP valine—tRNA ligase Valine--tRNA ligase
PROLINE--TRNA-LIGASE-RXN tRNApro + L-proline + ATP + H+ → L-prolyl-tRNApro + diphosphate + AMP proline—tRNA ligase Proline--tRNA ligase
GLYCINE--TRNA-LIGASE-RXN tRNAgly + glycine + ATP + H+ → glycyl-tRNAgly + diphosphate + AMP glycine—tRNA ligase Glycine--tRNA ligase
TYROSINE--TRNA-LIGASE-RXN tRNAtyr + L-tyrosine + ATP + H+ → L-tyrosyl-tRNAtyr + diphosphate + AMP tyrosine—tRNA ligase Tyrosine--tRNA ligase
SERINE--TRNA-LIGASE-RXN tRNAser + L-serine + ATP + H+ → L-seryl-tRNAser + diphosphate + AMP serine—tRNA ligase Serine--tRNA ligase
RXN1F-20 ATP + protoporphyrin IX + Mg2+ + H2O → Mg-protoporphyrin + phosphate + ADP + 3 H+ magnesium chelatase NIL
ACETYL-COA-CARBOXYLTRANSFER-RXN ATP + acetyl-CoA + bicarbonate → malonyl-CoA + phosphate + ADP + H+ acetyl-CoA carboxylase Acetyl-CoA carboxylase
METHYLCROTONYL-COA-CARBOXYLASE-RXN ATP + 3-methylcrotonyl-CoA + bicarbonate → ADP + phosphate + 3-methylglutaconyl-CoA + H+ methylcrotonoyl-CoA carboxylase Methylcrotonyl-CoA carboxylase
ISPH2-RXN isopentenyl diphosphate + NAD(P)+ + H2O ← 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate + NAD(P)H + H+ 4-hydroxy-3-methylbut-2-enyl diphosphate reductase NIL
RXN0-884 dimethylallyl diphosphate + NAD(P)+ + H2O ← 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate + NAD(P)H + H+ 4-hydroxy-3-methylbut-2-enyl diphosphate reductase NIL
RXN0-901 xanthine + NAD+ + H2O → urate + NADH + H+ xanthine dehydrogenase Xanthine dehydrogenase
RXN-1484 catechin + NADP+ + H2O ← leucocyanidin + NADPH + H+ leucoanthocyanidin reductase NIL
RXN0-882 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate + 2 an oxidized ferredoxin + H2O ← 2-C-methyl-D-erythritol-2,4-cyclodiphosphate + 2 a reduced ferredoxin (E)-4-hydroxy-3-methylbut-2-enyl-diphosphate synthase NIL
RIBONUCLEOSIDE-DIP-REDUCTI-RXN a deoxyribonucleoside diphosphate + an oxidized thioredoxin + H2O = a ribonucleoside diphosphate + a reduced thioredoxin ribonucleoside-diphosphate reductase Ribonucleoside-diphosphate reductase
LIPOXYGENASE-RXN linoleate + oxygen → (9Z,11E)-(13S)-13-hydroperoxyoctadeca-9,11-dienoate lipoxygenase Lipoxygenase
RXN-1321 α-linolenate + oxygen → 13(S)-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoate alpha-linolenate 13-lipoxygenase NIL
HOMOGENTISATE-12-DIOXYGENASE-RXN homogentisate + oxygen = 4-maleyl-acetoacetate + H+ homogentisate 1,2-dioxygenase Homogentisate 1,2-dioxygenase
R147-RXN 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one + oxygen → 2-oxo-4-methylthiobutanoate + formate + H+ acireductone dioxygenase [iron(II)-requiring] NIL
RXN-698 9'-cis-neoxanthin + oxygen → xanthoxin + C25-allenic-apo-aldehyde 9-cis-epoxycarotenoid dioxygenase NIL
MYO-INOSITOL-OXYGENASE-RXN myo-inositol + oxygen → D-glucuronate + H2O + H+ inositol oxygenase Myo-inositol oxygenase
RXN-7985 antheraxanthin + L-ascorbate + H+ → zeaxanthin + L-dehydro-ascorbate + H2O violaxanthin de-epoxidase NIL
RXN-7984 violaxanthin + L-ascorbate + H+ = antheraxanthin + L-dehydro-ascorbate + H2O violaxanthin de-epoxidase NIL
PSII-RXN 4 hν + 2 a plastoquinone + 2 H2O → 2 a plastoquinol + oxygen photosystem II NIL
1.10.2.2-RXN 2 an oxidized cytochrome c + a ubiquinol → 2 a reduced cytochrome c + a ubiquinone ubiquinol—cytochrome-c reductase Ubiquinol--cytochrome c reductase
1.5.1.20-RXN NAD+ + 5-methyl-tetrahydrofolate ← NADH + 5,10-methylenetetrahydropteroyl mono-L-glutamate + H+ methylenetetrahydrofolate reductase [NAD(P)H] 5,10-methylenetetrahydrofolate reductase (FADH)
METHYLENETHFDEHYDROG-NADP-RXN NADP+ + 5,10-methylenetetrahydropteroyl mono-L-glutamate → NADPH + 5,10-methenyltetrahydrofolate methylenetetrahydrofolate dehydrogenase (NADP+) Methylenetetrahydrofolate dehydrogenase (NADP+)
PYRROLINECARBREDUCT-RXN L-proline + NAD(P)+ ← (S)-1-pyrroline-5-carboxylate + NAD(P)H + 2 H+ pyrroline-5-carboxylate reductase Pyrroline-5-carboxylate reductase
DIHYDROFOLATEREDUCT-RXN NADP+ + tetrahydrofolate ← NADPH + 7,8-dihydrofolate monoglutamate + H+ dihydrofolate reductase Dihydrofolate reductase
1.5.1.15-RXN NAD+ + 5,10-methylenetetrahydropteroyl mono-L-glutamate → 5,10-methenyltetrahydrofolate + NADH methylenetetrahydrofolate dehydrogenase (NAD+) Methylenetetrahydrofolate dehydrogenase (NAD+)
1.5.1.8-RXN L-saccharopine + NADP+ + H2O ← L-lysine + 2-oxoglutarate + NADPH + H+ saccharopine dehydrogenase (NADP+, L-lysine-forming) Saccharopine dehydrogenase (NADP+, L-lysine forming)
1.5.1.9-RXN L-saccharopine + NAD+ + H2O → L-glutamate + 2-aminoadipate-6-semialdehyde + NADH + H+ saccharopine dehydrogenase (NAD+, L-glutamate-forming) Saccharopine dehydrogenase (NAD+, L-glutamate forming)
RXN-821 L-proline + an oxidized electron acceptor → (S)-1-pyrroline-5-carboxylate + a reduced electron acceptor proline dehydrogenase Proline dehydrogenase
RXN-5061 2 an oxidized ferredoxin + 5-methyl-tetrahydrofolate ← 2 a reduced ferredoxin + 5,10-methylenetetrahydropteroyl mono-L-glutamate + 2 H+ methylenetetrahydrofolate reductase (ferredoxin) NIL
RXN-10747 spermidine + oxygen + H2O → propane-1,3-diamine + 4-aminobutanal + hydrogen peroxide polyamine oxidase (propane-1,3-diamine-forming) NIL
PYRNUTRANSHYDROGEN-RXN NAD+ + NADPH → NADH + NADP+ NAD(P)+ transhydrogenase (B-specific) NAD(P)(+) transhydrogenase (B-specific)
1.6.5.4-RXN 2 monodehydroascorbate + NADH = 2 L-ascorbate + NAD+ + H+ monodehydroascorbate reductase (NADH) Monodehydroascorbate reductase (NADH)
RXN-3522 2 monodehydroascorbate + NADPH → 2 L-ascorbate + NADP+ + H+ monodehydroascorbate reductase (NADPH) NIL
FERRIC-CHELATE-REDUCTASE-RXN 2 Fe3+ + NADH → 2 Fe2+ + NAD+ + H+ ferric-chelate reductase Ferric-chelate reductase
GLYCOLATEDEHYDRO-RXN an oxidized electron acceptor + glycolate → a reduced electron acceptor + glyoxylate glycolate dehydrogenase Glycolate dehydrogenase
1.1.1.34-RXN 2 NADP+ + (R)-mevalonate + coenzyme A ← 2 NADPH + (S)-3-hydroxy-3-methylglutaryl-CoA + 2 H+ hydroxymethylglutaryl-CoA reductase (NADPH) Hydroxymethylglutaryl-CoA reductase (NADPH)
1.1.1.271-RXN NADP+ + GDP-L-fucose ← NADPH + GDP-4-dehydro-6-deoxy-D-mannose + H+ GDP-L-fucose synthase GDP-L-fucose synthase
L-LACTATE-DEHYDROGENASE-RXN (S)-lactate + NAD+ ← pyruvate + NADH + H+ L-lactate dehydrogenase L-lactate dehydrogenase
MALATE-DEH-RXN (S)-malate + NAD+ = oxaloacetate + NADH + H+ malate dehydrogenase Malate dehydrogenase
HISTALDEHYD-RXN histidinal + NAD+ + H2O → L-histidine + NADH + 2 H+ Histidinal dehydrogenase Histidinol dehydrogenase
MALIC-NAD-RXN (S)-malate + NAD+ → NADH + CO2 + pyruvate malate dehydrogenase (oxaloacetate-decarboxylating) Malate dehydrogenase (oxaloacetate decarboxylating)
GLYC3PDEHYDROGBIOSYN-RXN sn-glycerol-3-phosphate + NAD(P)+ ← dihydroxyacetone phosphate + NAD(P)H + H+ glycerol-3-phosphate dehydrogenase [NAD(P)+] Glycerol-3-phosphate dehydrogenase (NAD(P)+)
1.1.1.255-RXN NAD+ + D-mannitol → D-mannose + NADH + H+ mannitol dehydrogenase Mannitol dehydrogenase
RIBOFLAVINSYNREDUC-RXN 5-amino-6-(5-phospho-D-ribitylamino)uracil + NADP+ ← 5-amino-6-(5-phospho-D-ribosylamino)uracil + NADPH + H+ 5-amino-6-(5-phosphoribosylamino)uracil reductase NIL
RXN-7678 7-hydroxy-chlorophyll a + NAD(P)+ ← chlorophyll b + NAD(P)H + H+ chlorophyll(ide) b reductase NIL
MALIC-NADP-RXN (S)-malate + NADP+ → NADPH + CO2 + pyruvate malate dehydrogenase (oxaloacetate-decarboxylating) (NADP+) Malate dehydrogenase (oxaloacetate decarboxylating) (NADP+)
DXPREDISOM-RXN 2-C-methyl-D-erythritol-4-phosphate + NADP+ ← 1-deoxy-D-xylulose 5-phosphate + NADPH + H+ 1-deoxy-D-xylulose-5-phosphate reductoisomerase NIL
ISOCITRATE-DEHYDROGENASE-NAD+-RXN D-threo-isocitrate + NAD+ → 2-oxoglutarate + CO2 + NADH isocitrate dehydrogenase (NAD+) Isocitrate dehydrogenase (NAD+)
1.1.1.8-RXN sn-glycerol-3-phosphate + NAD+ ← dihydroxyacetone phosphate + NADH + H+ glycerol-3-phosphate dehydrogenase (NAD+) Glycerol-3-phosphate dehydrogenase (NAD+)
RXN-7698 a long-chain (3R)-3-hydroxyacyl-CoA + NADP+ ← a long-chain 3-oxoacyl-CoA + NADPH + H+ acetoacetyl-CoA reductase NIL
GLU6PDEHYDROG-RXN β-D-glucose-6-phosphate + NADP+ → 6-phospho-D-glucono-1,5-lactone + NADPH + H+ glucose-6-phosphate dehydrogenase Glucose-6-phosphate 1-dehydrogenase
ISOCITDEH-RXN D-threo-isocitrate + NADP+ → 2-oxoglutarate + CO2 + NADPH isocitrate dehydrogenase (NADP+) Isocitrate dehydrogenase (NADP+)
ACETOOHBUTREDUCTOISOM-RXN 2-aceto-2-hydroxy-butanoate + NADPH + H+ → 2,3-dihydroxy-3-methylvalerate + NADP+ 2,3-dihydroxy-3-methylvalerate dehydrogenase (isomerizing) Ketol-acid reductoisomerase
ACETOLACTREDUCTOISOM-RXN 2,3-dihydroxy-isovalerate + NADP+ ← (S)-2-acetolactate + NADPH + H+ ketol-acid reductoisomerase Ketol-acid reductoisomerase
DIHYDROKAEMPFEROL-4-REDUCTASE-RXN dihydrokaempferol + NADPH + 2 H+ → leucopelargonidin + NADP+ dihydrokaempferol 4-reductase Dihydrokaempferol 4-reductase
RXN-7968 shikimate + NAD(P)+ ← 3-dehydroshikimate + NAD(P)H + H+ quinate/shikimate dehydrogenase NIL
1.1.1.288-RXN xanthoxin + NAD+ → abscisic aldehyde + NADH + H+ xanthoxin dehydrogenase Xanthoxin dehydrogenase
1.1.1.39-RXN (S)-malate + NAD+ = NADH + CO2 + pyruvate malate dehydrogenase (decarboxylating) Malate dehydrogenase (decarboxylating)
GLYCERATE-DEHYDROGENASE-RXN D-glycerate + NAD+ ← hydroxypyruvate + NADH + H+ glycerate dehydrogenase Glycerate dehydrogenase
1.1.1.285-RXN 2'-deoxymugineic acid + NAD(P)+ ← 3''-deamino-3''-oxonicotianamine + NAD(P)H + H+ 3′′-deamino-3′′-oxonicotianamine reductase 3''-deamino-3''-oxonicotianamine reductase
RXN-2602 coniferyl alcohol + NADP+ = coniferaldehyde + NADPH + H+ coniferyl-alcohol dehydrogenase NIL
RXN-2962 S-hydroxymethylglutathione + NAD(P)+ = S-formylglutathione + NAD(P)H + H+ S-(hydroxymethyl)glutathione dehydrogenase NIL
RXN-7644 D-sorbitol + NAD+ → D-fructose + NADH + H+ D-sorbitol 2-dehydrogenase NIL
MALATE-DEHYDROGENASE-NADP+-RXN (S)-malate + NADP+ ← NADPH + oxaloacetate + H+ malate dehydrogenase (NADP+) Malate dehydrogenase (NADP+)
DLACTDEHYDROGNAD-RXN (R)-lactate + NAD+ ← pyruvate + NADH + H+ D-lactate dehydrogenase D-lactate dehydrogenase
PGLYCDEHYDROG-RXN 3-phospho-D-glycerate + NAD+ → 3-phospho-hydroxypyruvate + NADH + H+ phosphoglycerate dehydrogenase Phosphoglycerate dehydrogenase
SHIKIMATE-5-DEHYDROGENASE-RXN shikimate + NADP+ ← 3-dehydroshikimate + NADPH + H+ shikimate dehydrogenase Shikimate 5-dehydrogenase
HOMOSERDEHYDROG-RXN L-homoserine + NAD(P)+ ← L-aspartate-semialdehyde + NAD(P)H + H+ homoserine dehydrogenase Homoserine dehydrogenase
RXN-9528 an (R)-3-hydroxydecanoyl-[acp] + NADP+ ← a 3-oxo-decanoyl-[acp] + NADPH + H+ 3-oxo-decanoyl-[acyl-carrier protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
RXN-9540 an (R)-3-hydroxypalmitoyl-[acp] + NADP+ ← a 3-oxo-palmitoyl-[acp] + NADPH + H+ 3-oxo-palmitoyl-[acyl-carrier protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
RXN-9552 a 3-oxo-petroslinoyl-[acp] + NADP+ → a (R)-3-hydroxypetroselinoyl-[acp] + NADPH + H+ 3-oxo-petroslinoyl-[acyl-carrier protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
RXN-9524 an (R)-3-hydroxyoctanoyl-[acp] + NADP+ ← a 3-oxo-octanoyl-[acp] + NADPH + H+ 3-oxo-octanoyl-[acyl-carrier protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
3-OXOACYL-ACP-REDUCT-RXN a (3R)-3-hydroxyacyl-[acp] + NADP+ ← a β-ketoacyl-[acp] + NADPH + H+ 3-oxoacyl-[acyl-carrier-protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
RXN-9536 an (3R)-3-hydroxymyristoyl-[acp] + NADP+ ← a 3-oxo-meristoyl-[acp] + NADPH + H+ 3-oxo-meristoyl-[acyl-carrier protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
RXN-9633 a (R)-3-hydroxystearoyl-[acp] + NADP+ ← a 3-oxo-stearoyl-[acp] + NADPH + H+ 3-oxo-stearoyl-[acyl-carrier protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
RXN-9518 an (R)-3-hydroxyhexanoyl-[acp] + NADP+ ← a 3-oxo-hexanoyl-[acp] + NADPH + H+ 3-hydroxyhexanoyl-[acyl-carrier protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
RXN-9514 an acetoacetyl-[acp] + NADPH + H+ → an (R)-3-hydroxybutanoyl-[acp] + NADP+ acetoacetyl-[acyl-carrier protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
RXN-9532 a (R)-3-hydroxydodecanoyl-[acp] + NADP+ ← a 3-oxo-dodecanoyl-[acp] + NADPH + H+ 3-oxo-dodecanoyl-[acyl-carrier protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
RXN-9556 a (R)-3-hydroxy-cis-vaccenoyl-[acp] + NADP+ ← a 3-oxo-cis-vaccenoyl-[acp] + NADPH + H+ 3-oxo-cis-vaccenoyl-[acyl-carrier protein] reductase 3-oxoacyl-[acyl-carrier protein] reductase
SULFITE-REDUCTASE-FERREDOXIN-RXN hydrogen sulfide + 3 an oxidized ferredoxin + 3 H2O ← sulfite + 3 a reduced ferredoxin sulfite reductase (ferredoxin) Sulfite reductase (ferredoxin)
1.8.5.1-RXN L-dehydro-ascorbate + 2 glutathione → glutathione disulfide + L-ascorbate + H+ glutathione dehydrogenase (ascorbate) Glutathione dehydrogenase (ascorbate)
1.8.4.9-RXN sulfite + AMP + glutathione disulfide + 2 H+ ← adenosine 5'-phosphosulfate + 2 glutathione adenylyl-sulfate reductase (glutathione) Adenylyl-sulfate reductase (glutathione)
PRODISULFREDUCT-A-RXN 2 glutathione + an oxidized glutaredoxin → glutathione disulfide + a reduced glutaredoxin glutaredoxin reductase (glutathione) Protein-disulfide reductase (glutathione)
SULFITE-OXIDASE-RXN sulfite + oxygen + H2O → hydrogen peroxide + sulfate sulfite oxidase Sulfite oxidase
GLUTATHIONE-REDUCT-NADPH-RXN 2 glutathione + NADP+ ← glutathione disulfide + NADPH + H+ glutathione-disulfide reductase Glutathione reductase (NADPH)
THIOREDOXIN-REDUCT-NADPH-RXN a reduced thioredoxin + NADP+ ← an oxidized thioredoxin + NADPH + H+ thioredoxin-disulfide reductase Thioredoxin reductase (NADPH)
1.11.1.12-RXN a lipid hydroperoxide + 2 glutathione → a lipid + glutathione disulfide + 2 H2O phospholipid-hydroperoxide glutathione peroxidase Phospholipid-hydroperoxide glutathione peroxidase
GLUTATHIONE-PEROXIDASE-RXN hydrogen peroxide + 2 glutathione → glutathione disulfide + 2 H2O glutathione peroxidase Glutathione peroxidase
CATAL-RXN 2 hydrogen peroxide → 2 H2O + oxygen catalase Catalase
L-ASCORBATE-PEROXIDASE-RXN L-ascorbate + hydrogen peroxide + H+ = L-dehydro-ascorbate + 2 H2O L-ascorbate peroxidase L-ascorbate peroxidase
SUPEROX-DISMUT-RXN 2 superoxide + 2 H+ → hydrogen peroxide + oxygen superoxide dismutase Superoxide dismutase
2OXOGLUTDECARB-RXN 2-oxoglutarate + dihydrolipoyltranssuccinylase N6-(lipoyl)lysine → dihydrolipoyltranssuccinylase N6-(S-succinyldihydrolipoyl)lysine + CO2 oxoglutarate dehydrogenase (succinyl-transferring) Oxoglutarate dehydrogenase (lipoamide)
RXN0-1134 pyruvate + [lipoate acetyltransferase] N6-(lipoyl)lysine → [lipoate acetyltransferase] N6-(S-acetyldihydrolipoyl)lysine + CO2 pyruvate dehydrogenase (acetyl-transferring) Pyruvate dehydrogenase (lipoamide)
INDOLE-3-ACETALDEHYDE-OXIDASE-RXN indole acetaldehyde + oxygen + H2O → indole-3-acetate + hydrogen peroxide + H+ indole-3-acetaldehyde oxidase Indole-3-acetaldehyde oxidase
ALDEHYDE-OXIDASE-RXN an aldehyde + oxygen + H2O → hydrogen peroxide + an acid aldehyde oxidase Aldehyde oxidase
1.2.3.14-RXN abscisic aldehyde + H2O + oxygen → 2-cis-abscisic acid + hydrogen peroxide + H+ abscisic-aldehyde oxidase NIL
1.2.1.13-RXN phosphate + NADP+ + D-glyceraldehyde-3-phosphate ← NADPH + 1,3-bisphospho-D-glycerate + H+ glyceraldehyde-3-phosphate dehydrogenase (NADP+) (phosphorylating) Glyceraldehyde-3-phosphate dehydrogenase (NADP+) (phosphorylating)
1.2.1.9-RXN D-glyceraldehyde-3-phosphate + NADP+ + H2O → 3-phospho-D-glycerate + NADPH + 2 H+ glyceraldehyde-3-phosphate dehydrogenase (NADP+) Glyceraldehyde-3-phosphate dehydrogenase (NADP+)
GAPOXNPHOSPHN-RXN D-glyceraldehyde-3-phosphate + phosphate + NAD+ = 1,3-bisphospho-D-glycerate + NADH + H+ glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) Glyceraldehyde 3-phosphate dehydrogenase (phosphorylating)
AMINOBUTDEHYDROG-RXN 4-aminobutanal + NAD+ + H2O → 4-aminobutyrate + NADH + 2 H+ aminobutyraldehyde dehydrogenase Aminobutyraldehyde dehydrogenase
GLUTSEMIALDEHYDROG-RXN L-glutamate γ-semialdehyde + phosphate + NADP+ ← L-glutamate-5-phosphate + NADPH + H+ glutamate-5-semialdehyde dehydrogenase Glutamate-5-semialdehyde dehydrogenase
BADH-RXN betaine aldehyde + NAD+ + H2O → glycine betaine + NADH + 2 H+ betaine-aldehyde dehydrogenase Betaine-aldehyde dehydrogenase
GLUTRNAREDUCT-RXN glutamate-1-semialdehyde + NADP+ + tRNAGlu ← L-glutamyl-tRNAGlu + NADPH glutamyl-tRNA reductase NIL
RXN66-3 acetaldehyde + NAD+ + H2O → acetate + NADH + 2 H+ acetaldehyde dehydrogenase (NAD+) NIL
ASPARTATE-SEMIALDEHYDE-DEHYDROGENASE-RXN NADP+ + phosphate + L-aspartate-semialdehyde ← NADPH + L-aspartyl-4-phosphate + H+ aspartate-semialdehyde dehydrogenase Aspartate-semialdehyde dehydrogenase
N-ACETYLGLUTPREDUCT-RXN N-acetyl-L-glutamate 5-semialdehyde + NADP+ + phosphate ← N-acetylglutamyl-phosphate + NADPH + H+ N-acetyl-γ-glutamyl-phosphate reductase N-acetyl-gamma-glutamyl-phosphate reductase
1.2.1.27-RXN methylmalonate semialdehyde + NAD+ + coenzyme A + H2O = propanoyl-CoA + bicarbonate + NADH + H+ methylmalonate-semialdehyde dehydrogenase (acylating) Methylmalonate-semialdehyde dehydrogenase (acylating)
SUCCINATE-SEMIALDEHYDE-DEHYDROGENASE-RXN succinate semialdehyde + NAD+ + H2O → succinate + NADH + 2 H+ succinate-semialdehyde dehydrogenase (NAD+) Succinate-semialdehyde dehydrogenase
GLUTAMATE-SYNTHASE-FERREDOXIN-RXN 2 an oxidized ferredoxin + 2 L-glutamate ← 2 a reduced ferredoxin + 2-oxoglutarate + L-glutamine glutamate synthase (ferredoxin) Glutamate synthase (ferredoxin)
GCVP-RXN H-Gcv-protein-(lipoyl)lysine + glycine → H-protein-S-(aminomethyldihydrolipoyl)lysine + CO2 glycine dehydrogenase (decarboxylating) Glycine dehydrogenase (decarboxylating)
PUTRESCINE-OXIDASE-RXN putrescine + oxygen + H2O → ammonia + hydrogen peroxide + 4-aminobutanal + H+ putrescine oxidase Putrescine oxidase
PMPOXI-RXN pyridoxamine 5'-phosphate + oxygen + H2O → ammonia + hydrogen peroxide + pyridoxal 5'-phosphate + H+ pyridoxal 5′-phosphate synthase Pyridoxamine-phosphate oxidase
PNPOXI-RXN pyridoxine-5'-phosphate + oxygen → hydrogen peroxide + pyridoxal 5'-phosphate pyridoxal 5′-phosphate synthase NIL
L-ASPARTATE-OXID-RXN L-aspartate + oxygen → α-iminosuccinate + hydrogen peroxide + H+ L-aspartate oxidase NIL
GLUTAMATE-DEHYDROGENASE-RXN NAD+ + L-glutamate + H2O → ammonia + NADH + 2-oxoglutarate + 2 H+ glutamate dehydrogenase Glutamate dehydrogenase
GLUTAMATE-DEHYDROGENASE-NADP+-RXN NAD(P)+ + L-glutamate + H2O = ammonia + NAD(P)H + 2-oxoglutarate glutamate dehydrogenase [NAD(P)+] Glutamate dehydrogenase (NAD(P)+)
MEPROPCOA-FAD-RXN isobutyryl-CoA + FAD + H+ → methylacrylyl-CoA + FADH2 isobutyryl-CoA dehydrogenase 2-methylacyl-CoA dehydrogenase
1.3.3.9-RXN NADPH + loganin + oxygen + H+ → NADP+ + secologanin + 2 H2O secologanin synthase Secologanin synthase
ACYL-COA-OXIDASE-RXN an acyl-CoA + oxygen = a trans-2,3-dehydroacyl-CoA + hydrogen peroxide acyl-CoA oxidase Acyl-CoA oxidase
DIHYDROOROTOX-RXN (S)-dihydroorotate + oxygen = orotate + hydrogen peroxide dihydroorotate oxidase Dihydroorotate oxidase
GALACTONOLACTONE-DEHYDROGENASE-RXN 2 an oxidized cytochrome c + L-galactono-1,4-lactone → 2 a reduced cytochrome c + L-ascorbate L-galactonolactone dehydrogenase Galactonolactone dehydrogenase
RXN-3562 vestitone + NADP+ = 2-hydroxyformononetin + NADPH + H+ 2′-hydroxyisoflavone reductase NIL
DIMETHUROPORDEHYDROG-RXN precorrin-2 + NAD+ → sirohydrochlorin + NADH + 2 H+ precorrin-2 dehydrogenase NIL
RXN-7741 primary fluorescent chlorophyll catabolite + NADP+ + H+ ← red chlorophyll catabolite + NADPH red chlorophyll catabolite reductase NIL
RXN-5682 L-arogenate + NADP+ → L-tyrosine + CO2 + NADPH arogenate dehydrogenase (NADP+) NIL
ENOYL-ACP-REDUCT-NADPH-RXN a 2,3,4-saturated fatty acyl-[acp] + NADP+ ← NADPH + a trans-Δ2-enoyl-acyl-[acp] 2,3,4-saturated fatty acyl-[ACP] dehydrogenase Enoyl-[acyl-carrier protein] reductase (NADPH, B-specific)
ENOYL-ACP-REDUCT-NADH-RXN a 2,3,4-saturated fatty acyl-[acp] + NAD+ ← a trans-Δ2-enoyl-acyl-[acp] + NADH + H+ 2,3,4-saturated-fatty-acid-[acp] reductase Enoyl-[acyl-carrier protein] reductase (NADH)
RXN-9657 a crotonyl-[acp] + NADH + H+ → a butyryl-[acp] + NAD+ crotonyl-[acp] reductase Enoyl-[acyl-carrier protein] reductase (NADH)
RXN-9658 a hexanoyl-[acp] + NAD+ ← a trans hex-2-enoyl-[acp] + NADH + H+ trans hex-2-enoyl-[acp]-reductase Enoyl-[acyl-carrier protein] reductase (NADPH, B-specific)
RXN-9659 an octanoyl-[acp] + NAD+ ← a trans oct-2-enoyl-[acp] + NADH + H+ trans oct-2-enoyl-[acp] reductase Enoyl-[acyl-carrier protein] reductase (NADPH, B-specific)
RXN-9660 a decanoyl-[acp] + NAD+ ← a trans-Δ2-decenoyl-[acp] + NADH + H+ trans-Δ2-decenoyl-[acp]-reductase Enoyl-[acyl-carrier protein] reductase (NADPH, B-specific)
RXN-9661 a dodecanoyl-[acp] + NAD+ ← a trans dodec-2-enoyl-[acp] + NADH + H+ trans dodec-2-enoyl-[acp] reductase Enoyl-[acyl-carrier protein] reductase (NADPH, B-specific)
RXN-9662 a myristoyl-[acp] + NAD+ ← a trans tetradec-2-enoyl-[acp] + NADH + H+ trans tetradec-2-enoyl-[acp] reductase Enoyl-[acyl-carrier protein] reductase (NADPH, B-specific)
RXN-9635 a stearoyl-[acp] + NAD+ ← a trans-octadec-2-enoyl-[acp] + NADH + H+ trans-octadec-2-enoyl-[acyl-carrier-protein] reductase Enoyl-[acyl-carrier protein] reductase (NADPH, B-specific)
RXN-9663 a palmitoyl-[acp] + NAD+ ← a trans hexadecenoyl-[acp] + NADH + H+ trans hexadecenoyl-[acp] reductase Enoyl-[acyl-carrier protein] reductase (NADPH, B-specific)
RXN-9554 a petroselinoyl-[acp] + NADP+ ← a petrosel-2-enoyl-[acp] + NADPH Petrosel-2-enoyl-[acyl-carrier protein] reductase (NADPH, B-specific) Enoyl-[acyl-carrier protein] reductase (NADPH, B-specific)
RXN1F-10 chlorophyllide a + NADP+ ← monovinyl protochlorophyllide a + NADPH + H+ protochlorophyllide reductase NIL
1.3.1.2-RXN 5,6-dihydrouracil + NADP+ ← uracil + NADPH + H+ dihydropyrimidine dehydrogenase (NADP+) Dihydropyrimidine dehydrogenase (NADP+)
DIHYDROPICRED-RXN tetrahydrodipicolinate + NAD(P)+ ← L-2,3-dihydrodipicolinate + NAD(P)H + H+ dihydrodipicolinate reductase Dihydrodipicolinate reductase
FERREDOXIN--NITRITE-REDUCTASE-RXN ammonia + 6 an oxidized ferredoxin + 2 H2O ← nitrite + 6 a reduced ferredoxin + 7 H+ ferredoxin—nitrite reductase Ferredoxin--nitrite reductase
URATE-OXIDASE-RXN urate + oxygen + H2O → 5-hydroxyisourate + hydrogen peroxide urate oxidase Urate oxidase
CYTOCHROME-C-OXIDASE-RXN 4 a reduced cytochrome c + oxygen → 4 an oxidized cytochrome c + 2 H2O cytochrome-c oxidase Cytochrome-c oxidase
RETICULINE-OXIDASE-RXN (S)-reticuline + oxygen → hydrogen peroxide + S-scoulerine + H+ reticuline oxidase Reticuline oxidase
1.14.99.30-RXN neurosporene + a reduced electron acceptor + oxygen = all-trans-lycopene + an oxidized electron acceptor + 2 H2O carotene 7,8-desaturase Carotene 7,8-desaturase
DEOXYHYPUSINE-MONOOXYGENASE-RXN an eIF5A deoxyhypusine + a reduced electron acceptor + oxygen → an eIF5A-hypusine + an oxidized electron acceptor + H2O deoxyhypusine monooxygenase Deoxyhypusine monooxygenase
RXN-7903 a stearoyl-[acp] + a reduced ferredoxin + oxygen → an oleoyl-[acp] + an oxidized ferredoxin + 2 H2O NIL stearoyl-ACP desaturase
ETHYL-RXN L-ascorbate + 1-aminocyclopropane-1-carboxylate + oxygen + H+ → ethylene + L-dehydro-ascorbate + hydrogen cyanide + CO2 + 2 H2O aminocyclopropanecarboxylate oxidase NIL
RXN1F-357 choline + 2 a reduced ferredoxin + oxygen + 2 H+ → betaine aldehyde hydrate + 2 an oxidized ferredoxin + H2O choline monooxygenase NIL
RXN1F-160 ent-7-α-hydroxykaurenoate + NADPH + oxygen + H+ → GA12-aldehyde + NADP+ + 2 H2O ent-kaurenoic acid oxidase NIL
1.14.13.79-RXN ent-kaurenoate + NADPH + oxygen + H+ → ent-7-α-hydroxykaurenoate + NADP+ + H2O ent-kaurenoic acid oxidase Ent-kaurenoic acid oxidase
1.14.13.77-RXN NADPH + taxa-4(20),11-dien-5α-ol + oxygen + H+ = NADP+ + taxa-4(20),11-dien-5α,13α-diol + H2O taxane 13α-hydroxylase Taxane 13-α-hydroxylase
RXN-7676 chlorophyllide a + NADPH + oxygen + 2 H+ → 7-hydroxy-chlorophyllide a + NADP+ + H2O chlorophyllide-a oxygenase NIL
RXN-7677 7-hydroxy-chlorophyllide a + NADPH + oxygen → chlorophyllide b + NADP+ + 2 H2O chlorophyllide-a oxygenase NIL
RXN-7580 ent-kaurenal + NADPH + oxygen → ent-kaurenoate + NADP+ + H2O ent-kaurene oxidase NIL
1.14.13.78-RXN ent-kaurene + NADPH + oxygen + H+ → NADP+ + ent-kaurenol + H2O ent-kaurene oxidase Ent-kaurene oxidase
RXN-5242 ent-kaurenol + NADPH + oxygen + H+ → ent-kaurenal + NADP+ + 2 H2O ent-kaurene oxidase NIL
RXN-7979 antheraxanthin + NAD(P)H + oxygen + H+ → violaxanthin + NAD(P)+ + H2O zeaxanthin epoxidase NIL
RXN-7978 zeaxanthin + NAD(P)H + oxygen + H+ → antheraxanthin + NAD(P)+ + H2O zeaxanthin epoxidase NIL
TRANS-CINNAMATE-2-MONOOXYGENASE-RXN trans-cinnamate + NADPH + oxygen + H+ → NADP+ + 2-coumarate + H2O trans-cinnamate 2-monooxygenase Trans-cinnamate 2-monooxygenase
TRANS-CINNAMATE-4-MONOOXYGENASE-RXN trans-cinnamate + NADPH + oxygen + H+ → NADP+ + 4-coumarate + H2O trans-cinnamate 4-monooxygenase Trans-cinnamate 4-monooxygenase
1.14.13.70-RXN 3 NADPH + obtusifoliol + 3 oxygen + 2 H+ → 3 NADP+ + formate + 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol + 4 H2O sterol 14-demethylase Sterol 14-demethylase
RXN-5284 131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester + NADPH + oxygen + H+ → divinyl protochlorophyllide a + NADP+ + 2 H2O magnesium-protoporphyrin IX monomethyl ester (oxidative) cyclase NIL
RXN-5283 131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester + NADPH + oxygen + H+ → 131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester + NADP+ + 2 H2O magnesium-protoporphyrin IX monomethyl ester (oxidative) cyclase NIL
RXN-5282 magnesium-protoporphyrin IX 13-monomethyl ester + NADPH + oxygen + H+ → 131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester + NADP+ + H2O magnesium-protoporphyrin IX monomethyl ester (oxidative) cyclase NIL
NITRIC-OXIDE-SYNTHASE-RXN n NADPH + L-arginine + m oxygen → L-citrulline + n NADP+ + nitric oxide nitric-oxide synthase Nitric-oxide synthase
1.14.13.36-RXN trans-5-O-(4-coumaroyl)-D-quinate + NADPH + oxygen + H+ → trans-5-O-caffeoyl-D-quinate + NADP+ + H2O 5-O-(4-coumaroyl)-D-quinate 3′-monooxygenase 5-O-(4-coumaroyl)-D-quinate 3'-monooxygenase
1.14.13.93-RXN 2-cis-abscisic acid + NADPH + oxygen + H+ → 8'-hydroxyabscisate + NADP+ + H2O (+)-abscisic acid 8′-hydroxylase (+)-abscisic acid 8'-hydroxylase
1.14.13.76-RXN NADPH + taxa-4(20),11-dien-5-α-yl acetate + oxygen + H+ = NADP+ + 10β-hydroxytaxa-4(20),11-dien-5α-yl acetate + H2O taxane 10β-hydroxylase Taxane 10-β-hydroxylase
RXN-7740 pheophorbide a + NADPH + oxygen → red chlorophyll catabolite + NADP+ + H+ pheophorbide a oxygenase NIL
RXN1F-168 GA44 (open lactone form) + 2-oxoglutarate + oxygen → GA19 + succinate + CO2 + H2O gibberellin-44 dioxygenase NIL
RXN1F-170 gibberellin A20 + 2-oxoglutarate + oxygen → gibberellin A1 + succinate + CO2 gibberellin 3β-dioxygenase Gibberellin 3-beta-dioxygenase
1.14.11.19-RXN leucocyanidin + 2-oxoglutarate + oxygen → a dihydroquercetin + succinate + CO2 + H2O leucocyanidin oxygenase Leucocyanidin oxygenase
RXN-115 gibberellin A1 + 2-oxoglutarate + oxygen → gibberellin A8 + succinate + CO2 gibberellin 2β-dioxygenase Gibberellin 2-beta-dioxygenase
RXN-9310 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate → (1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate + pyruvate + H+ 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase NIL
THRESYN-RXN O-phospho-L-homoserine + H2O → phosphate + L-threonine threonine synthase Threonine synthase
RXN-8414 (2E,6E)-farnesyl diphosphate → (E)-β-caryophyllene + diphosphate β-caryophyllene synthase NIL
RXN-8422 (2E,6E)-farnesyl diphosphate = (E)-β-farnesene + diphosphate β-farnesene synthase NIL
4.2.3.26-RXN geranyl diphosphate + H2O → (3R)-linalool + diphosphate R-linalool synthase R-linalool synthase
RXN-5107 geranyl diphosphate → (-)-β-pinene + diphosphate pinene synthase NIL
RXN-5106 geranyl diphosphate → (-)-α-pinene + diphosphate pinene synthase NIL
4.2.3.14-RXN geranyl diphosphate = pinene + diphosphate pinene synthase Pinene synthase
RXN-5110 geranyl diphosphate → β-myrcene + diphosphate myrcene synthase Myrcene synthase
RXN-8616 (2E,6E)-farnesyl diphosphate + H2O → (3S,6E)-nerolidol + diphosphate (3S,6E)-nerolidol synthase NIL
CHORISMATE-SYNTHASE-RXN 5-enolpyruvyl-shikimate-3-phosphate → phosphate + chorismate chorismate synthase Chorismate synthase
4.2.3.16-RXN geranyl diphosphate → (-)-(4S)-limonene + diphosphate (4S)-limonene synthase (-)-(4S)-limonene synthase
4.2.3.19-RXN ent-copalyl diphosphate → diphosphate + ent-kaurene ent-kaurene synthase Ent-kaurene synthase
4.2.3.25-RXN geranyl diphosphate + H2O → (3S)-linalool + diphosphate S-linalool synthase S-linalool synthase
CYSTATHIONINE-BETA-SYNTHASE-RXN L-homocysteine + L-serine → L-cystathionine + H2O cystathionine β-synthase Cystathionine beta-synthase
RXN1F-19 13(S)-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoate → 12,13(S)-epoxylinolenate + H2O hydroperoxide dehydratase NIL
DIHYDRODIPICSYN-RXN pyruvate + L-aspartate-semialdehyde → L-2,3-dihydrodipicolinate + 2 H2O + H+ dihydrodipicolinate synthase Dihydrodipicolinate synthase
IMIDPHOSDEHYD-RXN D-erythro-imidazole-glycerol-phosphate → imidazole acetol-phosphate + H2O imidazoleglycerol-phosphate dehydratase Imidazoleglycerol-phosphate dehydratase
TRYPSYN-RXN (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate + L-serine = L-tryptophan + D-glyceraldehyde-3-phosphate + H2O tryptophan synthase Tryptophan synthase
RXN-6383 3-hydroxypropanoyl-CoA ← acrylyl-CoA + H2O 3-hydroxypropionyl-CoA dehydratase NIL
RXN-7699 a (3R)-3-hydroxyacyl-CoA → a trans-2,3-dehydroacyl-CoA + H2O enoyl-CoA hydratase 2 NIL
METHYLGLUTACONYL-COA-HYDRATASE-RXN (S)-3-hydroxy-3-methylglutaryl-CoA ← 3-methylglutaconyl-CoA + H2O methylglutaconyl-CoA hydratase Methylglutaconyl-CoA hydratase
CARBOXYCYCLOHEXADIENYL-DEHYDRATASE-RXN L-arogenate + H+ → CO2 + L-phenylalanine + H2O arogenate dehydratase Carboxycyclohexadienyl dehydratase
TIGLYLCOA-HYDROXY-RXN 2-methyl-3-hydroxybutyryl-CoA ← 2-methyl-crotonyl-CoA + H2O Tiglyl-CoA hydratase Enoyl-CoA hydratase
METHYLACYLYLCOA-HYDROXY-RXN (S)-3-hydroxy-isobutyryl-CoA ← methylacrylyl-CoA + H2O Methylacrylyl-CoA hydratase Enoyl-CoA hydratase
ENOYL-COA-HYDRAT-RXN a (3S)-3-hydroxyacyl-CoA ← a trans-2,3-dehydroacyl-CoA + H2O enoyl-CoA hydratase Enoyl-CoA hydratase
FUMHYDR-RXN (S)-malate ← fumarate + H2O fumarate hydratase Fumarate hydratase
O-SUCCINYLBENZOATE-COA-SYN-RXN (1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate → o-succinylbenzoate + H2O o-succinylbenzoate synthase NIL
DIHYDROXYMETVALDEHYDRAT-RXN 2,3-dihydroxy-3-methylvalerate → 2-keto-3-methyl-valerate + H2O 2,3-Dihydroxy-3-methylvalerate dehydratase Dihydroxy-acid dehydratase
DIHYDROXYISOVALDEHYDRAT-RXN 2,3-dihydroxy-isovalerate → 2-oxoisovalerate + H2O dihydroxy-acid dehydratase Dihydroxy-acid dehydratase
2PGADEHYDRAT-RXN 2-phospho-D-glycerate = phosphoenolpyruvate + H2O phosphopyruvate hydratase Phosphopyruvate hydratase
ACONITATEDEHYDR-RXN citrate → cis-aconitate + H2O aconitate hydratase Aconitate hydratase
ACONITATEHYDR-RXN cis-aconitate + H2O → D-threo-isocitrate aconitate hydratase NIL
RXN-9557 a (R)-3-hydroxy-cis-vaccenoyl-[acp] → a cis-vaccen-2-enoyl-[acp] + H2O 3-hydroxy-cis-vaccenoyl-[acyl-carrier protein] dehydratase a 3-hydroxypalmitoyl-[acyl-carrier protein] dehydratase
RXN-9634 a (R)-3-hydroxystearoyl-[acp] → a trans-octadec-2-enoyl-[acp] + H2O 3-hydroxystearoyl-[acyl-carrier protein] dehydratase a 3-hydroxypalmitoyl-[acyl-carrier protein] dehydratase
3-HYDROXYDECANOYL-ACP-DEHYDR-RXN a (3R)-3-hydroxyacyl-[acp] → a trans-Δ2-enoyl-acyl-[acp] + H2O 3-Hydroxyacyl-[acyl-carrier protein] dehydratase 3-hydroxydecanoyl-[acyl-carrier protein] dehydratase
RXN-9553 a (R)-3-hydroxypetroselinoyl-[acp] → a petrosel-2-enoyl-[acp] + H2O 3-hydroxypetroselinoyl-[acyl-carrier protein] dehydratase a 3-hydroxypalmitoyl-[acyl-carrier protein] dehydratase
RXN-9520 an (R)-3-hydroxyhexanoyl-[acp] → a trans hex-2-enoyl-[acp] + H2O 3-hydroxyhexanoyl-[acyl-carrier protein] dehydratase 3-hydroxydecanoyl-[acyl-carrier protein] dehydratase
4.2.1.58-RXN an (R)-3-hydroxybutanoyl-[acp] → a crotonyl-[acp] + H2O crotonoyl-[acyl-carrier-protein] hydratase Crotonoyl-[acyl-carrier protein] hydratase
4.2.1.59-RXN an (R)-3-hydroxyoctanoyl-[acp] → a trans oct-2-enoyl-[acp] + H2O 3-hydroxyoctanoyl-[acyl-carrier-protein] dehydratase 3-hydroxyoctanoyl-[acyl-carrier protein] dehydratase
RXN-9533 a (R)-3-hydroxydodecanoyl-[acp] → a trans dodec-2-enoyl-[acp] + H2O 3-hydroxydodecanoyl-[acyl-carrier protein] dehydratase 3-hydroxyoctanoyl-[acyl-carrier protein] dehydratase
RXN-9537 an (3R)-3-hydroxymyristoyl-[acp] → a trans tetradec-2-enoyl-[acp] + H2O 3-hydroxymyristoyl-[acyl-carrier protein] dehydratase 3-hydroxyoctanoyl-[acyl-carrier protein] dehydratase
4.2.1.61-RXN an (R)-3-hydroxypalmitoyl-[acp] → a trans hexadecenoyl-[acp] + H2O 3-hydroxypalmitoyl-[acyl-carrier-protein] dehydratase a 3-hydroxypalmitoyl-[acyl-carrier protein] dehydratase
R145-RXN 5-methylthioribulose-1-phosphate → 5-(methylthio)-2,3-dioxopentyl phosphate + H2O methylthioribulose 1-phosphate dehydratase NIL
R310-RXN acrylonitrile + H2O = acrylamide acrylonitrile hydratase Nitrile hydratase
R313-RXN 3-cyanopyridine + H2O = nicotinamide 3-cyanopyridine hydratase Nitrile hydratase
R524-RXN cyanate + bicarbonate + H+ → carbamate + CO2 cyanase Cyanate lyase
RXN0-5222 carbamate + H+ → ammonia + CO2 cyanase NIL
PYRIMSYN1-RXN 5-aminoimidazole ribonucleotide + S-adenosyl-L-methionine → hydroxymethylpyrimidine phosphate + 5'-deoxyadenosine + L-methionine + formate + carbon monoxide + 3 H+ phosphomethylpyrimidine synthase NIL
DIOHBUTANONEPSYN-RXN D-ribulose-5-phosphate → formate + 1-deoxy-L-glycero-tetrulose 4-phosphate + H+ 3,4-dihydroxy-2-butanone-4-phosphate synthase NIL
ANTHRANSYN-RXN chorismate + L-glutamine → anthranilate + L-glutamate + pyruvate + H+ anthranilate synthase Anthranilate synthase
ISOCIT-CLEAV-RXN D-threo-isocitrate → glyoxylate + succinate isocitrate lyase Isocitrate lyase
ADCLY-RXN 4-amino-4-deoxychorismate → p-aminobenzoate + pyruvate + H+ aminodeoxychorismate lyase NIL
HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN (S)-3-hydroxy-3-methylglutaryl-CoA → acetoacetate + acetyl-CoA hydroxymethylglutaryl-CoA lyase Hydroxymethylglutaryl-CoA lyase
F16ALDOLASE-RXN fructose-1,6-bisphosphate = dihydroxyacetone phosphate + D-glyceraldehyde-3-phosphate fructose-bisphosphate aldolase Fructose-bisphosphate aldolase
THREONINE-ALDOLASE-RXN L-threonine → acetaldehyde + glycine threonine aldolase Threonine aldolase
H2NEOPTERINALDOL-RXN 7,8-dihydro-D-neopterin → glycolaldehyde + 6-hydroxymethyl-7,8-dihydropterin dihydroneopterin aldolase Dihydroneopterin aldolase
RXN0-2381 (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate → indole + D-glyceraldehyde-3-phosphate indole-3-glycerol-phosphate lyase NIL
GLUTDECARBOX-RXN L-glutamate + H+ → CO2 + 4-aminobutyrate glutamate decarboxylase Glutamate decarboxylase
DIPHOSPHOMEVALONTE-DECARBOXYLASE-RXN mevalonate-diphosphate + ATP → isopentenyl diphosphate + CO2 + ADP + phosphate diphosphomevalonate decarboxylase Diphosphomevalonate decarboxylase
MALONYL-COA-DECARBOXYLASE-RXN malonyl-CoA + H+ = CO2 + acetyl-CoA malonyl-CoA decarboxylase Malonyl-CoA decarboxylase
IGPSYN-RXN 1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-phosphate + H+ → (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate + CO2 + H2O indole-3-glycerol-phosphate synthase Indole-3-glycerol-phosphate synthase
ORNDECARBOX-RXN L-ornithine + H+ → CO2 + putrescine ornithine decarboxylase Ornithine decarboxylase
AIRCARBOXY-RXN 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate + 2 H+ ← 5-aminoimidazole ribonucleotide + CO2 phosphoribosylaminoimidazole carboxylase Phosphoribosylaminoimidazole carboxylase
P-PANTOCYSDECARB-RXN R-4'-phosphopantothenoyl-L-cysteine + H+ → 4'-phosphopantetheine + CO2 phosphopantothenoylcysteine decarboxylase Phosphopantothenoylcysteine decarboxylase
PEPCARBOX-RXN phosphate + oxaloacetate + H+ = phosphoenolpyruvate + CO2 + H2O phosphoenolpyruvate carboxylase Phosphoenolpyruvate carboxylase
PEPCARBOXYKIN-RXN oxaloacetate + ATP → CO2 + phosphoenolpyruvate + ADP phosphoenolpyruvate carboxykinase (ATP) Phosphoenolpyruvate carboxykinase (ATP)
PHOSPHASERDECARB-RXN an L-1-phosphatidylserine + H+ → an L-1-phosphatidyl-ethanolamine + CO2 phosphatidylserine decarboxylase Phosphatidylserine decarboxylase
OROTPDECARB-RXN orotidine-5'-phosphate + H+ → CO2 + uridine-5'-phosphate orotidine-5′-phosphate decarboxylase Orotidine-5'-phosphate decarboxylase
SAMDECARB-RXN S-adenosyl-L-methionine + H+ → CO2 + S-adenosyl-L-methioninamine adenosylmethionine decarboxylase Adenosylmethionine decarboxylase
LYSDECARBOX-RXN L-lysine + H+ → CO2 + cadaverine lysine decarboxylase Lysine decarboxylase
DIAMINOPIMDECARB-RXN meso-diaminopimelate + H+ → CO2 + L-lysine diaminopimelate decarboxylase Diaminopimelate decarboxylase
PHENYLALANINE-DECARBOXYLASE-RXN L-phenylalanine + H+ → 2-phenylethylamine + CO2 phenylalanine decarboxylase Phenylalanine decarboxylase
ARGDECARBOX-RXN L-arginine + H+ → CO2 + agmatine arginine decarboxylase Arginine decarboxylase
RIBULOSE-BISPHOSPHATE-CARBOXYLASE-RXN D-ribulose-1,5-bisphosphate + CO2 + H2O → 2 3-phospho-D-glycerate + 2 H+ ribulose-bisphosphate carboxylase Ribulose-bisphosphate carboxylase
4.1.1.74-RXN indole-3-pyruvate + H+ → CO2 + indole acetaldehyde indolepyruvate decarboxylase Indolepyruvate decarboxylase
AROMATIC-L-AMINO-ACID-DECARBOXYLASE-RXN L-tryptophan + H+ → CO2 + tryptamine Tryptophan decarboxylase Aromatic-L-amino-acid decarboxylase
RXN-1403 (Z)-indol-3-ylacetaldoxime → indole-3-acetonitrile + H2O indoleacetaldoxime dehydratase NIL
SIROHEME-FERROCHELAT-RXN sirohydrochlorin + Fe2+ + 6 H+ → siroheme sirohydrochlorin ferrochelatase NIL
RXN0-302 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol → 2-C-methyl-D-erythritol-2,4-cyclodiphosphate + CMP 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
L-3-CYANOALANINE-SYNTHASE-RXN L-cysteine + hydrogen cyanide → hydrogen sulfide + 3-cyano-L-alanine + H+ L-3-cyanoalanine synthase L-3-cyanoalanine synthase
CYSTAGLY-RXN L-cystathionine + H2O → ammonia + 2-oxobutanoate + L-cysteine + H+ cystathionine γ-lyase Cystathionine gamma-lyase
METHIONINE-GAMMA-LYASE-RXN L-methionine + H2O → methanethiol + ammonia + 2-oxobutanoate + H+ methionine γ-lyase Methionine gamma-lyase
CYSTATHIONINE-BETA-LYASE-RXN L-cystathionine + H2O → ammonia + pyruvate + L-homocysteine + H+ cystathionine β-lyase Cystathionine beta-lyase
GLYOXI-RXN S-lactoyl-glutathione = methylglyoxal + glutathione lactoylglutathione lyase Lactoylglutathione lyase
STRICTOSIDINE-SYNTHASE-RXN tryptamine + secologanin → strictosidine + H2O strictosidine synthase Strictosidine synthase
ARGSUCCINLYA-RXN L-arginino-succinate → L-arginine + fumarate argininosuccinate lyase Argininosuccinate lyase
UREIDOGLYCOLATE-LYASE-RXN S-(-)-ureidoglycolate → urea + glyoxylate ureidoglycolate lyase Ureidoglycolate lyase
AICARSYN-RXN 5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole → fumarate + aminoimidazole carboxamide ribonucleotide adenylosuccinate lyase Adenylosuccinate lyase
AMPSYN-RXN adenylo-succinate → fumarate + AMP adenylosuccinate lyase Adenylosuccinate lyase
THREDEHYD-RXN L-threonine → 2-oxobutanoate + ammonia + H+ threonine ammonia-lyase Threonine dehydratase
DSERDEAM-RXN D-serine → pyruvate + ammonia + H+ D-serine ammonia-lyase D-serine ammonia-lyase
PHENYLALANINE-AMMONIA-LYASE-RXN L-phenylalanine → trans-cinnamate + ammonia + H+ phenylalanine ammonia-lyase Phenylalanine ammonia-lyase
PEPSYNTH-RXN pyruvate + ATP + H2O → phosphate + phosphoenolpyruvate + AMP + 2 H+ pyruvate, water dikinase Pyruvate,water dikinase
PYRUVATEORTHOPHOSPHATE-DIKINASE-RXN pyruvate + phosphate + ATP → phosphoenolpyruvate + AMP + diphosphate + H+ pyruvate, phosphate dikinase Pyruvate,phosphate dikinase
HOLO-ACP-SYNTH-RXN an apo-[acp] + coenzyme A → adenosine 3',5'-bisphosphate + a holo-[acp] holo-[acyl-carrier-protein] synthase Holo-[acyl-carrier protein] synthase
RXN-1382 an L-1-phosphatidyl-ethanolamine + L-serine → an L-1-phosphatidylserine + ethanolamine L-serine-phosphatidylethanolamine phosphatidyltransferase NIL
2.7.8.15-RXN a dolichyl phosphate + UDP-α-N-acetyl-D-glucosamine → an N-acetylglucosaminyl-diphosphodolichol + uridine-5'-phosphate UDP-N-acetylglucosamine—dolichyl-phosphate N-acetylglucosaminephosphotransferase UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase
PHOSPHASERSYN-RXN a CDP-diacylglycerol + L-serine → CMP + an L-1-phosphatidylserine + H+ CDP-diacylglycerol—serine O-phosphatidyltransferase CDP-diacylglycerol--serine O-phosphatidyltransferase
2.7.8.11-RXN a CDP-diacylglycerol + myo-inositol → an L-1-phosphatidyl-inositol + CMP CDP-diacylglycerol—inositol 3-phosphatidyltransferase CDP-diacylglycerol--inositol 3-phosphatidyltransferase
ETHANOLAMINEPHOSPHOTRANSFERASE-RXN a 1,2-diacylglycerol + CDP-ethanolamine → an L-1-phosphatidyl-ethanolamine + CMP ethanolaminephosphotransferase Ethanolaminephosphotransferase
RXN-5781 a 1,2-diacylglycerol + CDP-choline → a phosphatidylcholine + CMP + H+ diacylglycerol cholinephosphotransferase Diacylglycerol cholinephosphotransferase
PHOSPHAGLYPSYN-RXN a CDP-diacylglycerol + sn-glycerol-3-phosphate → CMP + an L-1-phosphatidylglycerol-phosphate + H+ CDP-diacylglycerol—glycerol-3-phosphate 3-phosphatidyltransferase CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase
RXNQT-4141 GDP-L-galactose + phosphate → GDP + α-L-galactose-1-phosphate + H+ GDP-L-galactose phosphorylase NIL
NAG1P-URIDYLTRANS-RXN N-acetyl-α-D-glucosamine 1-phosphate + UTP + H+ → UDP-α-N-acetyl-D-glucosamine + diphosphate UDP-N-acetylglucosamine diphosphorylase UDP-N-acetylglucosamine pyrophosphorylase
GLUC1PADENYLTRANS-RXN α-D-glucose 1-phosphate + ATP + H+ → ADP-α-D-glucose + diphosphate glucose-1-phosphate adenylyltransferase Glucose-1-phosphate adenylyltransferase
SULFATE-ADENYLYLTRANS-RXN sulfate + ATP + H+ → adenosine 5'-phosphosulfate + diphosphate sulfate adenylyltransferase Sulfate adenylyltransferase
FADSYN-RXN FMN + ATP + H+ → FAD + diphosphate FAD synthetase FMN adenylyltransferase
CPM-KDOSYNTH-RXN 3-deoxy-D-manno-octulosonate + CTP → CMP-3-deoxy-D-manno-octulosonate + diphosphate 3-deoxy-manno-octulosonate cytidylyltransferase 3-deoxy-manno-octulosonate cytidylyltransferase
2.7.7.57-RXN N-methylethanolamine phosphate + CTP + H+ → CDP-N-methylethanolamine + diphosphate N-methylphosphoethanolamine cytidylyltransferase N-methylphosphoethanolamine cytidylyltransferase
2.7.7.30-RXN β-L-fucose 1-phosphate + GTP + H+ → GDP-L-fucose + diphosphate fucose-1-phosphate guanylyltransferase Fucose-1-phosphate guanylyltransferase
2.7.7.13-RXN α-D-mannose 1-phosphate + GTP + H+ → GDP-α-D-mannose + diphosphate mannose-1-phosphate guanylyltransferase Mannose-1-phosphate guanylyltransferase
2.7.7.60-RXN 2-C-methyl-D-erythritol-4-phosphate + CTP + H+ → 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol + diphosphate 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
CDPDIGLYSYN-RXN CTP + a 1,2-diacylglycerol-3-phosphate + H+ → a CDP-diacylglycerol + diphosphate phosphatidate cytidylyltransferase Phosphatidate cytidylyltransferase
2.7.7.15-RXN phosphoryl-choline + CTP + H+ → CDP-choline + diphosphate choline-phosphate cytidylyltransferase Cholinephosphate cytidylyltransferase
2.7.7.44-RXN α-D-glucuronate 1-phosphate + UTP + H+ → UDP-D-glucuronate + diphosphate glucuronate-1-phosphate uridylyltransferase Glucuronate-1-phosphate uridylyltransferase
UTPHEXPURIDYLYLTRANS-RXN α-D-galactose 1-phosphate + UTP + H+ → UDP-D-galactose + diphosphate UTP—hexose-1-phosphate uridylyltransferase UTP--hexose-1-phosphate uridylyltransferase
PANTEPADENYLYLTRAN-RXN 4'-phosphopantetheine + ATP + H+ → dephospho-CoA + diphosphate pantetheine-phosphate adenylyltransferase Pantetheine-phosphate adenylyltransferase
NICONUCADENYLYLTRAN-RXN ATP + nicotinate mononucleotide + H+ → diphosphate + nicotinate adenine dinucleotide nicotinate-nucleotide adenylyltransferase Nicotinate-nucleotide adenylyltransferase
2.7.7.14-RXN phosphoryl-ethanolamine + CTP + H+ → CDP-ethanolamine + diphosphate ethanolamine-phosphate cytidylyltransferase Ethanolamine-phosphate cytidylyltransferase
H2PTERIDINEPYROPHOSPHOKIN-RXN 6-hydroxymethyl-7,8-dihydropterin + ATP → 6-hydroxymethyl-dihydropterin diphosphate + AMP + H+ 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
PRPPSYN-RXN ATP + D-ribose-5-phosphate → 5-phospho-α-D-ribose 1-diphosphate + AMP + H+ ribose-phosphate diphosphokinase Ribose-phosphate pyrophosphokinase
THIAMIN-PYROPHOSPHOKINASE-RXN thiamin + ATP → thiamine diphosphate + AMP + H+ thiamine diphosphokinase Thiamine pyrophosphokinase
ADENYL-KIN-RXN AMP + ATP → 2 ADP adenylate kinase Adenylate kinase
PHOSPHOMEVALONATE-KINASE-RXN mevalonate-5-phosphate + ATP → mevalonate-diphosphate + ADP phosphomevalonate kinase Phosphomevalonate kinase
PYRIMSYN3-RXN hydroxymethylpyrimidine phosphate + ATP → 4-amino-5-hydroxymethyl-2-methylpyrimidine-pyrophosphate + ADP phosphomethylpyrimidine kinase Phosphomethylpyrimidine kinase
DTMPKI-RXN ATP + dTMP → ADP + dTDP dTMP kinase Thymidylate kinase
RXN-7913 ATP + dCMP = ADP + dCDP cytidylate kinase Cytidylate kinase
CMPKI-RXN ATP + CMP = ADP + CDP cytidylate kinase Cytidylate kinase
GUANYL-KIN-RXN GMP + ATP = GDP + ADP guanylate kinase Guanylate kinase
PHOSGLYPHOS-RXN 3-phospho-D-glycerate + ATP = 1,3-bisphospho-D-glycerate + ADP phosphoglycerate kinase Phosphoglycerate kinase
ASPARTATEKIN-RXN L-aspartate + ATP → L-aspartyl-4-phosphate + ADP aspartate kinase Aspartate kinase
CARBAMATE-KINASE-RXN ammonia + CO2 + ATP ← carbamoyl-phosphate + ADP + H+ carbamate kinase Carbamate kinase
GLUTKIN-RXN L-glutamate + ATP → L-glutamate-5-phosphate + ADP glutamate 5-kinase Glutamate 5-kinase
ACETYLGLUTKIN-RXN N-acetyl-L-glutamate + ATP → N-acetylglutamyl-phosphate + ADP acetylglutamate kinase Acetylglutamate kinase
5-METHYLTHIORIBOSE-KINASE-RXN ATP + S-methyl-5-thio-D-ribose → ADP + 5-methylthioribose-1-phosphate + H+ S-methyl-5-thioribose kinase 5-methylthioribose kinase
2.7.1.134-RXN D-myo-inositol (3,4,5,6)-tetrakisphosphate + ATP → D-myo-inositol (1,3,4,5,6)-pentakisphosphate + ADP + H+ inositol-tetrakisphosphate 1-kinase 1D-myo-inositol-tetrakisphosphate 1-kinase
SHIKIMATE-KINASE-RXN shikimate + ATP → shikimate-3-phosphate + ADP + H+ shikimate kinase shikimate-kinase
RIBOKIN-RXN D-ribose + ATP = D-ribose-5-phosphate + ADP + H+ ribokinase Ribokinase
MYO-INOSITOL-1-KINASE-RXN myo-inositol + ATP → 1D-myo-inositol (3)-monophosphate + ADP + H+ inositol 3-kinase Myo-inositol 1-kinase
HOMOSERKIN-RXN L-homoserine + ATP → O-phospho-L-homoserine + ADP + H+ homoserine kinase Homoserine kinase
GLYCEROL-KIN-RXN glycerol + ATP → sn-glycerol-3-phosphate + ADP + H+ glycerol kinase Glycerol kinase
PEPDEPHOS-RXN pyruvate + ATP ← phosphoenolpyruvate + ADP + H+ pyruvate kinase Pyruvate kinase
XYLULOKIN-RXN D-xylulose + ATP → D-xylulose-5-phosphate + ADP + H+ xylulokinase Xylulokinase
RIBOFLAVINKIN-RXN riboflavin + ATP → FMN + ADP + H+ riboflavin kinase Riboflavin kinase
SPHINGANINE-KINASE-RXN sphinganine + ATP → sphinganine 1-phosphate + ADP + H+ sphinganine kinase Sphinganine kinase
THIAZOLSYN3-RXN ATP + 4-methyl-5-(β-hydroxyethyl)thiazole = ADP + 4-methyl-5-(2-phosphonooxyethyl)thiazole + H+ hydroxyethylthiazole kinase Hydroxyethylthiazole kinase
ADENYLYLSULFKIN-RXN adenosine 5'-phosphosulfate + ATP → phosphoadenosine-5'-phosphosulfate + ADP + H+ adenylyl-sulfate kinase Adenylylsulfate kinase
FUCOKINASE-RXN L-fucose + ATP → β-L-fucose 1-phosphate + ADP fucokinase Fucokinase
NAD-KIN-RXN NAD+ + ATP → NADP+ + ADP + H+ NAD+ kinase NAD(+) kinase
MANNKIN-RXN D-mannose + ATP → D-mannose 6-phosphate + ADP + H+ mannokinase D-mannose transport
OHMETPYRKIN-RXN ATP + hydroxymethylpyrimidine → ADP + hydroxymethylpyrimidine phosphate + H+ hydroxymethylpyrimidine kinase Hydroxymethylpyrimidine kinase
RXN-7162 D-myo-inositol (1,4,5,6)-tetrakisphosphate + ATP → D-myo-inositol (1,3,4,5,6)-pentakisphosphate + ADP + H+ inositol-polyphosphate multikinase NIL
2.7.1.148-RXN 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol + ATP → 2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol + ADP + H+ 4-(cytidine 5′-diphospho)-2-C-methyl-D-erythritol kinase 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol kinase
GLUCOKIN-RXN β-D-glucose + ATP → β-D-glucose-6-phosphate + ADP + H+ glucokinase Glucokinase
ETHANOLAMINE-KINASE-RXN ethanolamine + ATP → phosphoryl-ethanolamine + ADP + H+ ethanolamine kinase Ethanolamine kinase
CHOLINE-KINASE-RXN choline + ATP → phosphoryl-choline + ADP + H+ choline kinase Choline kinase
GLY3KIN-RXN D-glycerate + ATP → 3-phospho-D-glycerate + ADP + H+ glycerate kinase Glycerate kinase
ADENOSINE-KINASE-RXN adenosine + ATP → AMP + ADP + H+ adenosine kinase Adenosine kinase
GLUCURONOKINASE-RXN D-glucuronate + ATP → α-D-glucuronate 1-phosphate + ADP + 2 H+ glucuronokinase Glucuronokinase
TETRAACYLDISACC4KIN-RXN lipid A disaccharide + ATP = lipid IVA + ADP + H+ tetraacyldisaccharide 4′-kinase Tetraacyldisaccharide 4'-kinase
PYRIDOXKIN-RXN ATP + pyridoxal → ADP + pyridoxal 5'-phosphate + H+ pyridoxal kinase Pyridoxal kinase
PHOSPHORIBULOKINASE-RXN D-ribulose-5-phosphate + ATP → D-ribulose-1,5-bisphosphate + ADP + H+ phosphoribulokinase Phosphoribulokinase
PANTOTHENATE-KIN-RXN (R)-pantothenate + ATP → D-4'-phosphopantothenate + ADP + H+ pantothenate kinase Pantothenate kinase
RXN-8443 nicotinate riboside + ATP → nicotinate mononucleotide + ADP + H+ nicotinate riboside kinase NIL
URKI-RXN uridine + GTP → uridine-5'-phosphate + GDP + H+ GTP:uridine 5'-phosphotransferase Uridine kinase
DEPHOSPHOCOAKIN-RXN dephospho-CoA + ATP → ADP + coenzyme A + H+ dephospho-CoA kinase Dephospho-CoA kinase
2.7.1.90-RXN D-fructose-6-phosphate + diphosphate → phosphate + fructose-1,6-bisphosphate + H+ diphosphate—fructose-6-phosphate 1-phosphotransferase Diphosphate--fructose-6-phosphate 1-phosphotransferase
FRUCTOKINASE-RXN β-D-fructofuranose + ATP → D-fructose-6-phosphate + ADP + H+ fructokinase Fructokinase
L-ARABINOKINASE-RXN L-arabinose + ATP → β-L-arabinose 1-phosphate + ADP L-arabinokinase L-arabinokinase
MEVALONATE-KINASE-RXN (R)-mevalonate + ATP → mevalonate-5-phosphate + ADP + H+ mevalonate kinase Mevalonate kinase
RXN-7163 D-myo-inositol (1,3,4,5,6)-pentakisphosphate + ATP → 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate + ADP + H+ inositol-pentakisphosphate 2-kinase NIL
ACETOOHBUTSYN-RXN pyruvate + 2-oxobutanoate + H+ → 2-aceto-2-hydroxy-butanoate + CO2 2-aceto-2-hydroxy-butyrate synthase Acetolactate synthase
ACETOLACTSYN-RXN 2 pyruvate + H+ → (S)-2-acetolactate + CO2 acetolactate synthase Acetolactate synthase
2TRANSKETO-RXN D-erythrose-4-phosphate + D-xylulose-5-phosphate = D-fructose-6-phosphate + D-glyceraldehyde-3-phosphate D-Fructose 6-phosphate:D-glyceraldehyde-3-phosphate glycolaldehyde transferase Transketolase
1TRANSKETO-RXN D-sedoheptulose-7-phosphate + D-glyceraldehyde-3-phosphate = D-ribose-5-phosphate + D-xylulose-5-phosphate transketolase Transketolase
TRANSALDOL-RXN D-glyceraldehyde-3-phosphate + D-sedoheptulose-7-phosphate = D-fructose-6-phosphate + D-erythrose-4-phosphate transaldolase Transaldolase
DXS-RXN pyruvate + D-glyceraldehyde-3-phosphate + H+ → 1-deoxy-D-xylulose 5-phosphate + CO2 1-deoxy-D-xylulose-5-phosphate synthase NIL
2.5.1.64-RXN isochorismate + 2-oxoglutarate + 2 H+ → 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate + CO2 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylic-acid synthase 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase
2.8.2.26-RXN quercetin 3-sulfate + phosphoadenosine-5'-phosphosulfate → adenosine 3',5'-bisphosphate + quercetin-3,3'-bissulfate + H+ quercetin-3-sulfate 3′-sulfotransferase Quercetin-3-sulfate 3'-sulfotransferase
2.8.2.27-RXN quercetin 3-sulfate + phosphoadenosine-5'-phosphosulfate → adenosine 3',5'-bisphosphate + quercetin-3,4'-bissulfate + H+ quercetin-3-sulfate 4′-sulfotransferase Quercetin-3-sulfate 4'-sulfotransferase
2.8.2.28-RXN quercetin-3,3'-bissulfate + phosphoadenosine-5'-phosphosulfate → adenosine 3',5'-bisphosphate + quercetin 3,3',7-trissulfate quercetin-3,3′-bissulfate 7-sulfotransferase Quercetin-3,3'-bissulfate 7-sulfotransferase
FLAVONOL-3-SULFOTRANSFERASE-RXN quercetin + phosphoadenosine-5'-phosphosulfate → adenosine 3',5'-bisphosphate + quercetin 3-sulfate + H+ flavonol 3-sulfotransferase Flavonol 3-sulfotransferase
RXN0-949 an octanoylated protein lipoyl-domain + 2 S-adenosyl-L-methionine + 2 S2- → a lipoylated protein lipoyl-domain + 2 5'-deoxyadenosine + 2 L-methionine lipoyl synthase NIL
THIOSULFATE-SULFURTRANSFERASE-RXN thiosulfate + hydrogen cyanide → sulfite + thiocyanate + 2 H+ thiosulfate sulfurtransferase Thiosulfate sulfurtransferase
RXN0-308 a protein L-cysteine + L-cysteine → a protein-S-sulfanylcysteine + L-alanine cysteine desulfurase NIL
HISTAMINOTRANS-RXN imidazole acetol-phosphate + L-glutamate → L-histidinol-phosphate + 2-oxoglutarate histidinol-phosphate transaminase Histidinol-phosphate aminotransferase
GABATRANSAM-RXN 4-aminobutyrate + 2-oxoglutarate → succinate semialdehyde + L-glutamate 4-aminobutyrate transaminase 4-aminobutyrate aminotransferase
TRYPTOPHAN-AMINOTRANSFERASE-RXN 2-oxoglutarate + L-tryptophan → L-glutamate + indole-3-pyruvate tryptophan transaminase Tryptophan aminotransferase
PSERTRANSAMPYR-RXN 2-oxo-3-hydroxy-4-phosphobutanoate + L-glutamate = 4-phospho-hydroxy-L-threonine + 2-oxoglutarate phosphoserine transaminase NIL
PSERTRANSAM-RXN 3-phospho-L-serine + 2-oxoglutarate ← L-glutamate + 3-phospho-hydroxypyruvate phosphoserine transaminase Phosphoserine aminotransferase
2.6.1.58-RXN L-phenylalanine + pyruvate = keto-phenylpyruvate + L-alanine phenylalanine(histidine) transaminase Phenylalanine(histidine) transaminase
PHEAMINOTRANS-RXN keto-phenylpyruvate + L-glutamate → L-phenylalanine + 2-oxoglutarate phenylalanine transaminase Aromatic amino acid transferase
TYRAMINOTRANS-RXN L-tyrosine + 2-oxoglutarate = 4-hydroxyphenylpyruvate + L-glutamate Tyrosine transaminase Aromatic amino acid transferase
ACETYLORNTRANSAM-RXN N-acetyl-L-ornithine + 2-oxoglutarate ← L-glutamate + N-acetyl-L-glutamate 5-semialdehyde acetylornithine transaminase Acetylornithine aminotransferase
RXN-7737 L,L-diaminopimelate + 2-oxoglutarate ← tetrahydrodipicolinate + L-glutamate + H2O + H+ LL-diaminopimelate aminotransferase NIL
PABASYN-RXN chorismate + L-glutamine → 4-amino-4-deoxychorismate + L-glutamate aminodeoxychorismate synthase NIL
TYROSINE-AMINOTRANSFERASE-RXN L-tyrosine + 2-oxoglutarate → L-glutamate + 4-hydroxyphenylpyruvate tyrosine transaminase Tyrosine aminotransferase
R15-RXN 2-oxo-4-methylthiobutanoate + a standard α amino acid → L-methionine + a 2-oxo acid methionine aminotransferase NIL
PREPHENATE-TRANSAMINE-RXN prephenate + L-glutamate → L-arogenate + 2-oxoglutarate glutamate—prephenate aminotransferase Aromatic amino acid transferase
2.6.1.18-RXN malonate semialdehyde + L-alanine → β-alanine + pyruvate β-alanine—pyruvate transaminase Beta-alanine--pyruvate aminotransferase
ASPAMINOTRANS-RXN L-aspartate + 2-oxoglutarate = L-glutamate + oxaloacetate aspartate transaminase Aspartate aminotransferase
BRANCHED-CHAINAMINOTRANSFERLEU-RXN L-leucine + 2-oxoglutarate = L-glutamate + 4-methyl-2-oxopentanoate branched-chain-amino-acid transaminase Branched-chain amino acid aminotransferase
BRANCHED-CHAINAMINOTRANSFERILEU-RXN L-isoleucine + 2-oxoglutarate = L-glutamate + 2-keto-3-methyl-valerate Isoleucine transaminase Branched-chain amino acid aminotransferase
L-GLN-FRUCT-6-P-AMINOTRANS-RXN D-fructose-6-phosphate + L-glutamine → L-glutamate + D-glucosamine-6-phosphate glutamine—fructose-6-phosphate transaminase (isomerizing) Glucosamine--fructose-6-phosphate aminotransferase (isomerizing)
ALANINE-AMINOTRANSFERASE-RXN 2-oxoglutarate + L-alanine = L-glutamate + pyruvate alanine transaminase Alanine aminotransferase
2.6.1.80-RXN nicotianamine + 2-oxoglutarate → L-glutamate + 3''-deamino-3''-oxonicotianamine nicotianamine aminotransferase Nicotianamine aminotransferase
SERINE-GLYOXYLATE-AMINOTRANSFERASE-RXN glyoxylate + L-serine → hydroxypyruvate + glycine serine—glyoxylate transaminase Serine--glyoxylate aminotransferase
GLYCINE-AMINOTRANSFERASE-RXN 2-oxoglutarate + glycine ← L-glutamate + glyoxylate glycine transaminase Glycine aminotransferase
2-AMINOADIPATE-AMINOTRANSFERASE-RXN 2-aminoadipate + 2-oxoglutarate → L-glutamate + 2-oxoadipate 2-aminoadipate transaminase 2-aminoadipate aminotransferase
ORNITHINE-GLU-AMINOTRANSFORASE-RXN L-ornithine + 2-oxoglutarate = L-glutamate + L-glutamate γ-semialdehyde Ornithine--oxo-glutarate aminotransferase Ornithine--oxo-acid aminotransferase
DAPASYN-RXN S-adenosyl-L-methionine + 7-keto-8-aminopelargonate → S-adenosyl-4-methylthio-2-oxobutanoate + 7,8-diaminopelargonate adenosylmethionine—8-amino-7-oxononanoate transaminase Adenosylmethionine--8-amino-7-oxononanoate aminotransferase
ACSERLY-RXN O-acetyl-L-serine + hydrogen sulfide → L-cysteine + acetate + H+ cysteine synthase Cysteine synthase
QUINOLINATE-SYNTHA-RXN α-iminosuccinate + dihydroxyacetone phosphate → quinolinate + phosphate + 2 H2O quinolinate synthase NIL
RXN66-281 presqualene diphosphate + NAD(P)H → squalene + NAD(P)+ + diphosphate squalene synthase NIL
RXN-4307 dimethylallyl diphosphate + AMP → N6-(Δ2-isopentenyl)-adenosine 5'-monophosphate + diphosphate adenylate dimethylallyltransferase NIL
FPPSYN-RXN geranyl diphosphate + isopentenyl diphosphate = (2E,6E)-farnesyl diphosphate + diphosphate (2E,6E)-farnesyl diphosphate synthase geranyltranstransferase
GPPSYN-RXN dimethylallyl diphosphate + isopentenyl diphosphate → geranyl diphosphate + diphosphate dimethylallyltranstransferase Dimethylallyltransferase
S-ADENMETSYN-RXN ATP + L-methionine + H2O → phosphate + diphosphate + S-adenosyl-L-methionine methionine adenosyltransferase Methionine adenosyltransferase
KDO-8PSYNTH-RXN D-arabinose 5-phosphate + phosphoenolpyruvate + H2O → 3-deoxy-D-manno-octulosonate 8-P + phosphate 3-deoxy-8-phosphooctulonate synthase 2-dehydro-3-deoxyphosphooctonate aldolase
THI-P-SYN-RXN 4-methyl-5-(2-phosphonooxyethyl)thiazole + 4-amino-5-hydroxymethyl-2-methylpyrimidine-pyrophosphate + H+ → thiamine-phosphate + diphosphate thiamine-phosphate diphosphorylase Thiamine-phosphate pyrophosphorylase
2.5.1.32-RXN 2 all-trans-geranyl-geranyl diphosphate → prephytoene diphosphate + diphosphate phytoene synthase Geranylgeranyl-diphosphate geranylgeranyltransferase
RXNARA-8002 prephytoene diphosphate → 15-cis-phytoene + diphosphate phytoene synthase NIL
RXN1F-66 chlorophyllide a + phytyl diphosphate + H+ = chlorophyll a + diphosphate chlorophyll synthase NIL
DAHPSYN-RXN phosphoenolpyruvate + D-erythrose-4-phosphate + H2O → 3-deoxy-D-arabino-heptulosonate-7-phosphate + phosphate 3-deoxy-7-phosphoheptulonate synthase 2-dehydro-3-deoxyphosphoheptonate aldolase
LUMAZINESYN-RXN 5-amino-6-(D-ribitylamino)uracil + 1-deoxy-L-glycero-tetrulose 4-phosphate → 6,7-dimethyl-8-(1-D-ribityl)lumazine + phosphate + 2 H2O + H+ 6,7-dimethyl-8-ribityllumazine synthase NIL
H2PTEROATESYNTH-RXN p-aminobenzoate + 6-hydroxymethyl-dihydropterin diphosphate → 7,8-dihydropteroate + diphosphate dihydropteroate synthase Dihydropteroate synthase
2.5.1.46-RXN spermidine + an eIF5A lysine → an eIF5A deoxyhypusine + propane-1,3-diamine deoxyhypusine synthase Deoxyhypusine synthase
2.5.1.43-RXN 3 S-adenosyl-L-methionine → nicotianamine + 3 S-methyl-5'-thioadenosine + 3 H+ nicotianamine synthase Nicotianamine synthase
SPERMINE-SYNTHASE-RXN spermidine + S-adenosyl-L-methioninamine → spermine + S-methyl-5'-thioadenosine + H+ spermine synthase Spermine synthase
SPERMIDINESYN-RXN putrescine + S-adenosyl-L-methioninamine → spermidine + S-methyl-5'-thioadenosine + H+ spermidine synthase Spermidine synthase
RIBOFLAVIN-SYN-RXN 2 6,7-dimethyl-8-(1-D-ribityl)lumazine + H+ → 5-amino-6-(D-ribitylamino)uracil + riboflavin riboflavin synthase Riboflavin synthase
ORNCARBAMTRANSFER-RXN L-ornithine + carbamoyl-phosphate = L-citrulline + phosphate + H+ ornithine carbamoyltransferase Ornithine carbamoyltransferase
ASPCARBTRANS-RXN L-aspartate + carbamoyl-phosphate → N-carbamoyl-L-aspartate + phosphate + H+ aspartate carbamoyltransferase Aspartate carbamoyltransferase
GLYOHMETRANS-RXN L-serine + tetrahydrofolate = glycine + 5,10-methylenetetrahydropteroyl mono-L-glutamate + H2O glycine hydroxymethyltransferase Glycine hydroxymethyltransferase
GCVT-RXN H-protein-S-(aminomethyldihydrolipoyl)lysine + tetrahydrofolate → H-Gcv-protein-(dihydrolipoyl)lysine + ammonia + 5,10-methylenetetrahydropteroyl mono-L-glutamate aminomethyltransferase Aminomethyltransferase
GART-RXN 5-phospho-ribosyl-glycineamide + 10-formyl-tetrahydrofolate → 5'-phosphoribosyl-N-formylglycineamide + tetrahydrofolate + H+ phosphoribosylglycinamide formyltransferase Phosphoribosylglycinamide formyltransferase
AICARTRANSFORM-RXN aminoimidazole carboxamide ribonucleotide + 10-formyl-tetrahydrofolate → phosphoribosyl-formamido-carboxamide + tetrahydrofolate phosphoribosylaminoimidazolecarboxamide formyltransferase Phosphoribosylaminoimidazolecarboxamide formyltransferase
RXN-9281 3,4-dihydroxy-5-all-trans-nonaprenylbenzoate + S-adenosyl-L-methionine → 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate + S-adenosyl-L-homocysteine + H+ nonaprenyldihydroxybenzoate methyltransferase Hexaprenyldihydroxybenzoate methyltransferase
2.1.1.64-RXN 3-demethylubiquinol-9 + S-adenosyl-L-methionine → ubiquinol-9 + S-adenosyl-L-homocysteine + H+ 3-Demethylubiquinone-9 3-O-methyltransferase NIL
METHIONINE-S-METHYLTRANSFERASE-RXN L-methionine + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + S-methyl-L-methionine methionine S-methyltransferase Methionine S-methyltransferase
2.1.1.143-RXN 24-methylenelophenol + S-adenosyl-L-methionine → 24-ethylidenelophenol + S-adenosyl-L-homocysteine + H+ 24-methylenesterol C-methyltransferase 24-methylenesterol C-methyltransferase
RXN-MG-PROTOPORPHYRIN-METHYLESTER-SYN Mg-protoporphyrin + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + magnesium-protoporphyrin IX 13-monomethyl ester magnesium protoporphyrin IX methyltransferase Magnesium-protoporphyrin O-methyltransferase
2.1.1.103-RXN phosphoryl-ethanolamine + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + N-methylethanolamine phosphate + H+ phosphoethanolamine N-methyltransferase Phosphoethanolamine N-methyltransferase
UROPORIIIMETHYLTRANSA-RXN S-adenosyl-L-methionine + uroporphyrinogen-III → S-adenosyl-L-homocysteine + precorrin-1 + H+ uroporphyrinogen-III C-methyltransferase NIL
THYMIDYLATESYN-RXN dUMP + 5,10-methylenetetrahydropteroyl mono-L-glutamate → dTMP + 7,8-dihydrofolate monoglutamate thymidylate synthase Thymidylate synthase
MMUM-RXN S-methyl-L-methionine + L-homocysteine → 2 L-methionine + H+ homocysteine S-methyltransferase NIL
HOMOCYSTEINE-S-METHYLTRANSFERASE-RXN L-homocysteine + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + L-methionine + H+ S-adenosyl-L-methionine:L-homocysteine S-methyltransferase Homocysteine S-methyltransferase
TOCOPHEROL-O-METHYLTRANSFERASE-RXN γ-tocopherol + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + α-tocopherol + H+ tocopherol O-methyltransferase Tocopherol O-methyltransferase
2.1.1.19-RXN trimethyl sulfonium + tetrahydrofolate ← dimethylsulfide + 5-methyl-tetrahydrofolate + H+ trimethylsulfonium—tetrahydrofolate N-methyltransferase Trimethylsulfonium--tetrahydrofolate N-methyltransferase
QUERCETIN-3-O-METHYLTRANSFERASE-RXN quercetin + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + 3-O-methylquercetin + H+ quercetin 3-O-methyltransferase Quercetin 3-O-methyltransferase
RXN-1104 trans-caffeate + S-adenosyl-L-methionine → ferulate + S-adenosyl-L-homocysteine + 3 H+ caffeate O-methyltransferase NIL
2.1.1.71-RXN a phosphatidyl-N-methylethanolamine + S-adenosyl-L-methionine → a phosphatidyl-N-dimethylethanolamine + S-adenosyl-L-homocysteine + H+ phosphatidyl-N-methylethanolamine N-methyltransferase Phosphatidyl-N-methylethanolamine N-methyltransferase
HOMOCYSMETB12-RXN L-homocysteine + 5-methyl-tetrahydrofolate → L-methionine + tetrahydrofolate methionine synthase 5-methyltetrahydrofolate--homocysteine S-methyltransferase
2.1.1.82-RXN 3-O-methylquercetin + S-adenosyl-L-methionine → S-adenosyl-L-homocysteine + 3,7-di-O-methylquercetin 3-methylquercetin 7-O-methyltransferase 3-methylquercetin 7-O-methyltransferase
2.1.1.83-RXN 3,7-di-O-methylquercetin + S-adenosyl-L-methionine → 3,7,4'-tri-O-methylquercetin + S-adenosyl-L-homocysteine + H+ 3,7-dimethylquercetin 4′-O-methyltransferase 3,7-dimethylquercetin 4'-O-methyltransferase
CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN caffeoyl-CoA + S-adenosyl-L-methionine → feruloyl-CoA + S-adenosyl-L-homocysteine + H+ caffeoyl-CoA O-methyltransferase Caffeoyl-CoA O-methyltransferase
HOMOCYSMET-RXN L-homocysteine + 5-methyltetrahydropteroyltri-L-glutamate → L-methionine + tetrahydropteroyl tri-L-glutamate 5-methyltetrahydropteroyltriglutamate—homocysteine S-methyltransferase 5-methyltetrahydropteroyltriglutamate--homocysteine S-methyltransferase
NICOTINATEPRIBOSYLTRANS-RXN nicotinate mononucleotide + diphosphate ← nicotinate + 5-phospho-α-D-ribose 1-diphosphate + H+ nicotinate phosphoribosyltransferase Nicotinate phosphoribosyltransferase
2.4.2.34-RXN UDP-L-arabinose + indol-3-yl-acetyl-myo-inositol → UDP + indole-3-yl-acetyl-myo-inositol L-arabinoside + H+ indolylacetylinositol arabinosyltransferase Indolylacetylinositol arabinosyltransferase
QUINOPRIBOTRANS-RXN 5-phospho-α-D-ribose 1-diphosphate + quinolinate + 2 H+ → CO2 + diphosphate + nicotinate mononucleotide nicotinate-nucleotide diphosphorylase (carboxylating) Nicotinate-nucleotide pyrophosphorylase (carboxylating)
OROPRIBTRANS-RXN orotidine-5'-phosphate + diphosphate ← 5-phospho-α-D-ribose 1-diphosphate + orotate orotate phosphoribosyltransferase Orotate phosphoribosyltransferase
RXN-9104 UDP-α-D-xylose + [(1->4)-β-D-xylan](n) → [(1->4)-β-D-xylan](n+1) + UDP 1,4-β-D-xylan synthase NIL
HYPOXANPRIBOSYLTRAN-RXN inosine-5'-phosphate + diphosphate = hypoxanthine + 5-phospho-α-D-ribose 1-diphosphate hypoxanthine phosphoribosyltransferase Hypoxanthine phosphoribosyltransferase
PRPPAMIDOTRANS-RXN 5-phospho-β-D-ribosyl-amine + diphosphate + L-glutamate ← 5-phospho-α-D-ribose 1-diphosphate + L-glutamine + H2O amidophosphoribosyltransferase Amidophosphoribosyltransferase
ADENPRIBOSYLTRAN-RXN AMP + diphosphate ← adenine + 5-phospho-α-D-ribose 1-diphosphate adenine phosphoribosyltransferase Adenine phosphoribosyltransferase
URACIL-PRIBOSYLTRANS-RXN diphosphate + uridine-5'-phosphate ← 5-phospho-α-D-ribose 1-diphosphate + uracil uracil phosphoribosyltransferase Uracil phosphoribosyltransferase
PRTRANS-RXN N-(5'-phosphoribosyl)-anthranilate + diphosphate ← anthranilate + 5-phospho-α-D-ribose 1-diphosphate anthranilate phosphoribosyltransferase Anthranilate phosphoribosyltransferase
FLAVONOL-3-O-GLUCOSYLTRANSFERASE-RXN UDP-D-glucose + a flavonol → UDP + a flavonol-3-O-β-D-glucoside flavonol 3-O-glucosyltransferase Flavonol 3-O-glucosyltransferase
RXN-4723 UDP-D-glucose + trans-zeatin → trans-zeatin-O-glucoside + UDP + H+ trans-zeatin O-β-D-glucosyltransferase NIL
RXN-4735 UDP-D-glucose + cis-zeatin → cis-zeatin-O-glucoside + UDP + H+ cis-zeatin O-β-D-glucosyltransferase NIL
2.4.1.82-RXN galactinol + sucrose → myo-inositol + raffinose galactinol—sucrose galactosyltransferase Galactinol--sucrose galactosyltransferase
CELLULOSE-SYNTHASE-UDP-FORMING-RXN UDP-D-glucose + (1,4-β-D-glucosyl)(n) → (1,4-β-D-glucosyl)(n+1) + UDP cellulose synthase (UDP-forming) Cellulose synthase (UDP-forming)
2.4.1.114-RXN UDP-D-glucose + 2-coumarate → trans-β-D-Glucosyl-2-hydroxycinnamate + UDP + H+ 2-coumarate O-β-glucosyltransferase 2-coumarate O-β-glucosyltransferase
2.4.1.156-RXN indol-3-yl-acetyl-myo-inositol + UDP-D-galactose → 5-O-(indol-3-ylacetyl-myo-inositol) D-galactoside + UDP + H+ indolylacetyl-myo-inositol galactosyltransferase Indolylacetyl-myo-inositol galactosyltransferase
2.4.1.141-RXN an N-acetylglucosaminyl-diphosphodolichol + UDP-α-N-acetyl-D-glucosamine → an (N-acetylglucosaminyl)2-diphosphodolichol + UDP + H+ N-acetylglucosaminyldiphosphodolichol N-acetylglucosaminyltransferase N-acetylglucosaminyldiphosphodolichol N-acetylglucosaminyltransferase
RXN-5463 a (mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol + GDP-α-D-mannose → a (mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol + GDP + H+ GDP-Man:Man2GlcNAc2-PP-dolichol α-1,6-mannosyltransferase NIL
RXN-5464 a (mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol + 2 GDP-α-D-mannose → a (mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol + 2 GDP + 2 H+ glycolipid 2-α-mannosyltransferase NIL
RXN-5466 a (mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ Dol-P-Man:Man5GlcNAc2-PP-Dol α-1,3-mannosyltransferase NIL
RXN-5467 a (mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ Dol-P-Man:Man6GlcNAc2-PP-Dol α-1,2-mannosyltransferase NIL
RXN-1828 a long-linear glucan + α-D-glucose ← a short glucan + a short glucan 4-α-glucanotransferase disproportionating enzyme
RXN-5468 a (mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ Dol-P-Man:Man7GlcNAc2-PP-Dol α-1,6-mannosyltransferase NIL
RXN-5469 a (mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-mannosyl phosphate → a (mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ Dol-P-Man:Man8GlcNAc2-PP-Dol α-1,2-mannosyltransferase NIL
RXN-5470 a (mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-glucosyl phosphate → a glucosyl-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ Dol-P-Glc:Man9GlcNAc2-PP-Dol α-1,3-glucosyltransferase NIL
RXN-5471 a glucosyl-(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-glucosyl phosphate → a (glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl phosphate + H+ Dol-P-Glc:Glc1Man9GlcNAc2-PP-Dol α-1,3-glucosyltransferase NIL
RXN-5472 a (glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol + a dolichyl β-D-glucosyl phosphate → an oligosaccharide-diphosphodolichol + a dolichyl phosphate + H+ Dol-P-Glc:Glc2Man9GlcNAc2-PP-Dol α1,2-glucosyltransferase NIL
2.4.1.83-RXN a dolichyl phosphate + GDP-α-D-mannose → a dolichyl β-D-mannosyl phosphate + GDP dolichyl-phosphate β-D-mannosyltransferase Dolichyl-phosphate beta-D-mannosyltransferase
2.4.1.117-RXN a dolichyl phosphate + UDP-D-glucose → a dolichyl β-D-glucosyl phosphate + UDP dolichyl-phosphate β-glucosyltransferase Dolichyl-phosphate beta-glucosyltransferase
RXN-5462 a mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol + GDP-α-D-mannose → a (mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol + GDP + H+ glycolipid 3-α-mannosyltransferase NIL
2.4.1.142-RXN an (N-acetylglucosaminyl)2-diphosphodolichol + GDP-α-D-mannose → a mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol + GDP + H+ chitobiosyldiphosphodolichol β-mannosyltransferase Chitobiosyldiphosphodolichol alpha-mannosyltransferase
RXN-1225 a monogalactosyldiacylgycerol + UDP-D-galactose → a digalactosyldiacylglycerol + UDP digalactosyldiacylglycerol synthase Digalactosyldiacylglycerol synthase
SUCROSE-PHOSPHATE-SYNTHASE-RXN UDP-D-glucose + D-fructose-6-phosphate → sucrose-6-phosphate + UDP + H+ sucrose-phosphate synthase Sucrose-phosphate synthase
2.4.1.123-RXN myo-inositol + UDP-D-galactose → galactinol + UDP + H+ inositol 3-α-galactosyltransferase Inositol 1-α-galactosyltransferase
LIPIDADISACCHARIDESYNTH-RXN 2,3-bis[(3R)-3-hydroxymyristoyl]-β-D-glucosaminyl 1-phosphate + UDP-2,3-bis[O-(3R)-3-hydroxymyristoyl]-α-D-glucosamine = lipid A disaccharide + UDP + H+ lipid-A-disaccharide synthase Lipid-A-disaccharide synthase
SINAPATE-1-GLUCOSYLTRANSFERASE-RXN UDP-D-glucose + sinapate = 1-O-sinapoyl-β-D-glucose + UDP sinapate 1-glucosyltransferase Sinapate 1-glucosyltransferase
2.4.1.46-RXN a 1,2-diacylglycerol + UDP-D-galactose → a monogalactosyldiacylgycerol + UDP monogalactosyldiacylglycerol synthase 1,2-diacylglycerol 3-β-galactosyltransferase
TREHALOSE6PSYN-RXN UDP-D-glucose + α-D-glucose 6-phosphate → UDP + trehalose 6-phosphate + H+ α,α-trehalose-phosphate synthase (UDP-forming) Alpha,alpha-trehalose-phosphate synthase (UDP-forming)
2.4.1.67-RXN galactinol + raffinose → myo-inositol + stachyose galactinol—raffinose galactosyltransferase Galactinol-raffinose galactosyltransferase
GLYCOGENSYN-RXN ADP-α-D-glucose + (1,4-α-D-glucosyl)(n) → ADP + (1,4-α-D-glucosyl)(n+1) starch synthase Starch (bacterial glycogen) synthase
RXN-9721 a monogalactosyldiacylgycerol + a β,β digalactosyldiacylglycerol → a trigalactosyldiacylglycerol + a 1,2-diacylglycerol β,β digalactosyldiacylglycerol galactosyltransferase NIL
2.4.1.43-RXN (1,4-α-D-galacturonosyl)(n) + UDP-D-galacturonate → (1,4-α-D-galacturonosyl)(n+m) + UDP polygalacturonate 4-α-galacturonosyltransferase Polygalacturonate 4-α-galacturonosyltransferase
2.4.1.111-RXN UDP-D-glucose + coniferyl alcohol → coniferin + UDP + H+ coniferyl-alcohol glucosyltransferase Coniferyl-alcohol glucosyltransferase
MALSYN-RXN acetyl-CoA + glyoxylate + H2O → (S)-malate + coenzyme A + H+ malate synthase Malate synthase
HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN acetoacetyl-CoA + acetyl-CoA + H2O → (S)-3-hydroxy-3-methylglutaryl-CoA + coenzyme A + H+ hydroxymethylglutaryl-CoA synthase Hydroxymethylglutaryl-CoA synthase
ATP-CITRATE-PRO-S--LYASE-RXN oxaloacetate + acetyl-CoA + phosphate + ADP ← citrate + ATP + coenzyme A ATP citrate synthase ATP-citrate (pro-S-)-lyase
CITSYN-RXN oxaloacetate + acetyl-CoA + H2O → citrate + coenzyme A + H+ citrate (Si)-synthase Citrate (si)-synthase
AGMATINE-N4-COUMAROYLTRANSFERASE-RXN 4-coumaroyl-CoA + agmatine = 4-coumaroylagmatine + coenzyme A + H+ agmatine N4-coumaroyltransferase Agmatine N4-coumaroyltransferase
RXN-9527 an octanoyl-[acp] + a malonyl-[acp] → a 3-oxo-decanoyl-[acp] + CO2 + a holo-[acp] 3-oxo-decanoyl-[acyl-carrier protein] synthase 3-oxoacyl-[acyl-carrier protein] synthase
RXN-9539 a myristoyl-[acp] + a malonyl-[acp] → a 3-oxo-palmitoyl-[acp] + CO2 + a holo-[acp] 3-oxo-palmitoyl-[acyl-carrier protein] synthase 3-oxoacyl-[acyl-carrier protein] synthase
RXN-9523 a hexanoyl-[acp] + a malonyl-[acp] → a 3-oxo-octanoyl-[acp] + CO2 + a holo-[acp] 3-oxo-octanoyl-[acyl-carrier protein] synthase 3-oxoacyl-[acyl-carrier protein] synthase
RXN-9632 a palmitoyl-[acp] + malonyl-CoA → a 3-oxo-stearoyl-[acp] + CO2 + coenzyme A 3-oxo-stearoyl-[acyl-carrier protein] synthase 3-oxoacyl-[acyl-carrier protein] synthase
RXN-9535 a dodecanoyl-[acp] + a malonyl-[acp] → a 3-oxo-meristoyl-[acp] + CO2 + a holo-[acp] β-ketoacyl-acyl-carrier-protein synthase I 3-oxoacyl-[acyl-carrier protein] synthase
RXN-9516 a butyryl-[acp] + a malonyl-[acp] → a 3-oxo-hexanoyl-[acp] + CO2 + a holo-[acp] 3-oxo-hexanoyl-[acyl-carrier protein] synthase 3-oxoacyl-[acyl-carrier protein] synthase
RXN-9531 a decanoyl-[acp] + a malonyl-[acp] → a 3-oxo-dodecanoyl-[acp] + CO2 + a holo-[acp] 3-oxo-dodecanoyl-[acyl-carrier protein] synthase 3-oxoacyl-[acyl-carrier protein] synthase
2.3.1.180-RXN acetyl-CoA + a malonyl-[acp] → an acetoacetyl-[acp] + CO2 + coenzyme A β-ketoacyl-acyl-carrier-protein synthase III Beta-ketoacyl-acyl-carrier-protein synthase III
UDPNACETYLGLUCOSAMACYLTRANS-RXN an (3R)-3-hydroxymyristoyl-[acp] + UDP-α-N-acetyl-D-glucosamine = UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine + a holo-[acp] acyl-[acyl-carrier-protein]—UDP-N-acetylglucosamine O-acyltransferase Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase
RXN-3142 4-coumaroyl-CoA + 3 malonyl-CoA + NADPH + 4 H+ → isoliquiritigenin + 3 CO2 + NADP+ + 4 coenzyme A + H2O 6′-deoxychalcone synthase NIL
RXN0-1133 acetyl-CoA + [lipoate acetyltransferase] N6-(dihydrolipoyl)lysine ← [lipoate acetyltransferase] N6-(S-acetyldihydrolipoyl)lysine + coenzyme A dihydrolipoyllysine-residue acetyltransferase Dihydrolipoamide S-acetyltransferase
RXN-1623 a long-chain acyl-CoA + a 1-acyl-sn-glycerol-3-phosphate → a 1,2-diacylglycerol-3-phosphate + coenzyme A 1-acylglycerol-3-phosphate O-acyltransferase NIL
2.3.1.72-RXN myo-inositol + indole-3-acetyl-β-1-D-glucose → indol-3-yl-acetyl-myo-inositol + β-D-glucose indoleacetylglucose—inositol O-acyltransferase Indoleacetylglucose--inositol O-acyltransferase
MALONYL-COA-ACP-TRANSACYL-RXN malonyl-CoA + a holo-[acp] → a malonyl-[acp] + coenzyme A [acyl-carrier-protein] S-malonyltransferase [Acyl-carrier protein] S-malonyltransferase
N-ACETYLTRANSFER-RXN L-glutamate + acetyl-CoA → N-acetyl-L-glutamate + coenzyme A + H+ amino-acid N-acetyltransferase Amino-acid N-acetyltransferase
RXN-6724 benzyl alcohol + benzoyl-CoA → benzylbenzoate + coenzyme A + 4 H+ benzyl alcohol O-benzoyltransferase NIL
SERINE-O-ACETTRAN-RXN L-serine + acetyl-CoA → O-acetyl-L-serine + coenzyme A serine O-acetyltransferase Serine O-acetyltransferase
2.3.1.168-RXN [lipoamide acyltransferase] N6-(S-[2-methylpropanoyl]dihydrolipoyl)lysine + coenzyme A = [lipoamide acyltransferase] N6-(dihydrolipoyl)lysine + isobutyryl-CoA dihydrolipoyllysine-residue (2-methylpropanoyl)transferase Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase
GLUTAMATE-N-ACETYLTRANSFERASE-RXN L-glutamate + N-acetyl-L-ornithine → N-acetyl-L-glutamate + L-ornithine glutamate N-acetyltransferase Glutamate N-acetyltransferase
2.3.1.75-RXN an acyl-CoA + a long-chain alcohol = a long-chain ester + coenzyme A long-chain-alcohol O-fatty-acyltransferase Long-chain-alcohol O-fatty-acyltransferase
DIACYLGLYCEROL-O-ACYLTRANSFERASE-RXN an acyl-CoA + a 1,2-diacylglycerol → a triacylglycerol + coenzyme A diacylglycerol O-acyltransferase Diacylglycerol O-acyltransferase
SERINE-C-PALMITOYLTRANSFERASE-RXN L-serine + palmitoyl-CoA + H+ → CO2 + 3-dehydrosphinganine + coenzyme A serine C-palmitoyltransferase Serine C-palmitoyltransferase
RXN-1381 a long-chain acyl-CoA + sn-glycerol-3-phosphate → a 1-acyl-sn-glycerol-3-phosphate + coenzyme A glycerol-3-phosphate O-acyltransferase NIL
2.3.1.103-RXN 2 1-O-sinapoyl-β-D-glucose = 1,2-di-O-sinapoyl-β-D-glucose + β-D-glucose sinapoylglucose—sinapoylglucose O-sinapoyltransferase Sinapoylglucose--sinapoylglucose O-sinapoyltransferase
2.3.1.92-RXN (S)-malate + 1-O-sinapoyl-β-D-glucose = sinapoyl-(S)-malate + β-D-glucose sinapoylglucose—malate O-sinapoyltransferase Sinapoylglucose--malate O-sinapoyltransferase
2.3.1.91-RXN 1-O-sinapoyl-β-D-glucose + choline = O-sinapoylcholine + β-D-glucose sinapoylglucose—choline O-sinapoyltransferase Sinapoylglucose--choline O-sinapoyltransferase
KETOACYLCOATHIOL-RXN a 2,3,4-saturated fatty acyl CoA + acetyl-CoA ← a 3-oxoacyl-CoA + coenzyme A acetyl-CoA C-acyltransferase Acetyl-CoA C-acyltransferase
ACETYL-COA-ACETYLTRANSFER-RXN 2 acetyl-CoA → acetoacetyl-CoA + coenzyme A acetyl-CoA C-acetyltransferase Acetyl-CoA C-acetyltransferase
METHYLACETOACETYLCOATHIOL-RXN 2-methylacetoacetyl-CoA + coenzyme A → propanoyl-CoA + acetyl-CoA 2-methylacetoacetyl-CoA thiolase Acetyl-CoA C-acyltransferase
RXN0-947 an octanoyl-[acp] + a non-lipoylated protein-lipoyl domain → an octanoylated protein lipoyl-domain + a holo-[acp] lipoyl(octanoyl) transferase NIL
2.3.1.179-RXN a palmitoleoyl-[acp] + a malonyl-[acp] → a 3-oxo-cis-vaccenoyl-[acp] + CO2 + a holo-[acp] β-ketoacyl-acyl-carrier-protein synthase II Beta-ketoacyl-acyl-carrier-protein synthase II
GLUCOSAMINEPNACETYLTRANS-RXN D-glucosamine-6-phosphate + acetyl-CoA → N-acetyl-D-glucosamine-6-phosphate + coenzyme A + H+ glucosamine-phosphate N-acetyltransferase Glucosamine-phosphate N-acetyltransferase
ANTHRANILATE-N-BENZOYLTRANSFERASE-RXN anthranilate + benzoyl-CoA → N-benzoylanthranilate + coenzyme A anthranilate N-benzoyltransferase Anthranilate N-benzoyltransferase
TYRAMINE-N-FERULOYLTRANSFERASE-RXN feruloyl-CoA + tyramine → N-feruloyltyramine + coenzyme A + H+ tyramine N-feruloyltransferase Tyramine N-feruloyltransferase
2.3.1.162-RXN taxa-4(20),11-dien-5α-ol + acetyl-CoA = taxa-4(20),11-dien-5-α-yl acetate + coenzyme A taxadien-5α-ol O-acetyltransferase Taxadien-5-α-ol O-acetyltransferase
RXN0-1147 succinyl-CoA + dihydrolipoyltranssuccinylase N6-(dihydrolipoyl)lysine ← dihydrolipoyltranssuccinylase N6-(S-succinyldihydrolipoyl)lysine + coenzyme A dihydrolipoyllysine-residue succinyltransferase NIL
2.3.1.167-RXN 10-deacetylbaccatin III + acetyl-CoA = baccatin III + coenzyme A 10-deacetylbaccatin III 10-O-acetyltransferase 10-deacetylbaccatin III 10-O-acetyltransferase
PHOSACETYLGLUCOSAMINEMUT-RXN N-acetyl-α-D-glucosamine 1-phosphate ← N-acetyl-D-glucosamine-6-phosphate phosphoacetylglucosamine mutase Phosphoacetylglucosamine mutase
3PGAREARR-RXN 3-phospho-D-glycerate = 2-phospho-D-glycerate phosphoglycerate mutase Phosphoglycerate mutase
PHOSMANMUT-RXN α-D-mannose 1-phosphate ← D-mannose 6-phosphate phosphomannomutase Phosphomannomutase
CHORISMATEMUT-RXN chorismate → prephenate chorismate mutase Chorismate mutase
ISOCHORSYN-RXN chorismate → isochorismate isochorismate synthase Isochorismate synthase
RXN1F-155 violaxanthin → trans-neoxanthin neoxanthin synthase NIL
ALLENE-OXIDE-CYCLASE-RXN 12,13(S)-epoxylinolenate → 12-oxo-cis-10,15-phytodienoate allene-oxide cyclase Allene-oxide cyclase
IPPISOM-RXN isopentenyl diphosphate → dimethylallyl diphosphate isopentenyl-diphosphate Δ-isomerase Isopentenyl-diphosphate delta-isomerase
XYLISOM-RXN α-D-xylose → D-xylulose xylose isomerase Xylose isomerase
PGLUCISOM-RXN β-D-glucose-6-phosphate = D-fructose-6-phosphate glucose-6-phosphate isomerase Glucose-6-phosphate isomerase
RIB5PISOM-RXN D-ribose-5-phosphate = D-ribulose-5-phosphate ribose-5-phosphate isomerase Ribose 5-phosphate epimerase
TRIOSEPISOMERIZATION-RXN D-glyceraldehyde-3-phosphate = dihydroxyacetone phosphate triose-phosphate isomerase Triosephosphate isomerase
PRIBFAICARPISOM-RXN 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide → phosphoribulosylformimino-AICAR-P 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide isomerase N-(5'-phospho-D-ribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4- imidazole carboxamide isomerase
MANNPISOM-RXN D-mannose 6-phosphate = D-fructose-6-phosphate mannose-6-phosphate isomerase Mannose-6-phosphate isomerase
5.3.1.23-RXN 5-methylthioribose-1-phosphate → 5-methylthioribulose-1-phosphate S-methyl-5-thioribose-1-phosphate isomerase 5-methylthioribose-1-phosphate isomerase
PRAISOM-RXN N-(5'-phosphoribosyl)-anthranilate → 1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-phosphate phosphoribosylanthranilate isomerase Phosphoribosylanthranilate isomerase
APIGNAR-RXN naringenin chalcone → naringenin + H+ Naringenin chalcone isomerase Chalcone isomerase
CYCLOEUCALENOL-CYCLOISOMERASE-RXN cycloeucalenol → obtusifoliol cycloeucalenol cycloisomerase Cycloeucalenol cycloisomerase
MYO-INOSITOL-1-PHOSPHATE-SYNTHASE-RXN D-glucose-6-phosphate → 1D-myo-inositol (3)-monophosphate inositol-3-phosphate synthase myo-inositol-1-phosphate synthase
5.5.1.13-RXN all-trans-geranyl-geranyl diphosphate → ent-copalyl diphosphate ent-copalyl diphosphate synthase ent-copalyl diphosphate synthase
ALDOSE-1-EPIMERASE-RXN α-D-glucose = β-D-glucose aldose 1-epimerase Aldose 1-epimerase
RIBULP3EPIM-RXN D-ribulose-5-phosphate = D-xylulose-5-phosphate ribulose-phosphate 3-epimerase ribulose phosphate 3-epimerase
GLUCOSE-6-PHOSPHATE-1-EPIMERASE-RXN α-D-glucose 6-phosphate → β-D-glucose-6-phosphate glucose-6-phosphate 1-epimerase Glucose-6 phosphate 1-epimerase
5.1.1.18-RXN L-serine → D-serine serine racemase Serine racemase
DIAMINOPIMEPIM-RXN L,L-diaminopimelate → meso-diaminopimelate diaminopimelate epimerase Diaminopimelate epimerase
RXN-2043 a long-linear glucan + H2O → a short glucan + a short glucan cellulase NIL
RXN-1824 a large-branched glucan → a long-linear glucan pullulanase debranching enzyme
RXN-2103 (1,4-α-D-galacturonosyl)(n+m) + H2O → (1,4-α-D-galacturonosyl)(m) + (1,4-α-D-galacturonosyl)(m) polygalacturonase NIL
TREHALA-RXN trehalose + H2O → 2 β-D-glucose α,α-trehalase Alpha,alpha-trehalase
RXN-1827 (1,4-α-D-glucosyl)(n+1) + H2O → (1,4-α-D-glucosyl)(n-1) + α-maltose β-amylase beta-amylase
RXN-1825 a long-linear glucan + n H2O → n short glucans α-amylase alpha-amylase
RXN-1823 starch + n H2O → a large-branched glucan α-amylase alpha-amylase
CONIFERIN-BETA-GLUCOSIDASE-RXN coniferin + H2O → coniferyl alcohol + β-D-glucose coniferin β-glucosidase Coniferin β-glucosidase
ALPHAGALACTOSID-RXN melibiose + H2O → α-D-galactose + β-D-glucose α-galactosidase Alpha-galactosidase
RXN-1841 1-kestotriose + H2O → D-fructose + sucrose fructan β-fructosidase NIL
METHYLTHIOADENOSINE-NUCLEOSIDASE-RXN S-methyl-5'-thioadenosine + H2O → S-methyl-5-thio-D-ribose + adenine methylthioadenosine nucleosidase Methylthioadenosine nucleosidase
URIDINE-NUCLEOSIDASE-RXN uridine + H2O → D-ribose + uracil uridine nucleosidase Uridine nucleosidase
RXN0-366 guanosine + H2O → D-ribose + guanine guanosine hydrolase NIL
INOSINE-NUCLEOSIDASE-RXN inosine + H2O → D-ribose + hypoxanthine inosine nucleosidase Inosine nucleosidase
ADENOSINE-NUCLEOSIDASE-RXN adenosine + H2O → D-ribose + adenine adenosine nucleosidase Adenosine nucleosidase
RXN-1223 UDP-α-D-glucose + sulfite + H+ → UDP-α-D-sulfoquinovopyranose + H2O UDP-sulfoquinovose synthase NIL
3.5.5.4-RXN 3-cyano-L-alanine + 2 H2O → ammonia + L-aspartate cyanoalanine nitrilase Cyanoalanine nitrilase
HISTCYCLOHYD-RXN 1-(5-phospho-D-ribosyl)-AMP + H2O → 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide phosphoribosyl-AMP cyclohydrolase Phosphoribosyl-AMP cyclohydrolase
RIBOFLAVINSYNDEAM-RXN 2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one + H2O → 5-amino-6-(5-phospho-D-ribosylamino)uracil + ammonia diaminohydroxyphosphoribosylaminopyrimidine deaminase NIL
GUANINE-DEAMINASE-RXN guanine + H2O → ammonia + xanthine guanine deaminase Guanine deaminase
CYTIDEAM2-RXN cytidine + H2O → uridine + ammonia cytidine deaminase Cytidine deaminase
METHENYLTHFCYCLOHYDRO-RXN 5,10-methenyltetrahydrofolate + H2O = 10-formyl-tetrahydrofolate + H+ methenyltetrahydrofolate cyclohydrolase Methenyltetrahydrofolate cyclohydrolase
UREIDOGLYCOLATE-HYDROLASE-RXN S-(-)-ureidoglycolate + H2O → 2 ammonia + CO2 + glyoxylate ureidoglycolate hydrolase Ureidoglycolate hydrolase
ALLANTOICASE-RXN allantoate + H2O → S-(-)-ureidoglycolate + urea allantoicase Allantoicase
ALLANTOATE-DEIMINASE-RXN allantoate + H2O + H+ → S-ureidoglycine + ammonia + CO2 allantoate deiminase Allantoate deiminase
ARGININE-DEIMINASE-RXN L-arginine + H2O → ammonia + L-citrulline + H+ arginine deiminase Arginine deiminase
ARGINASE-RXN L-arginine + H2O → urea + L-ornithine arginase Arginase
AGMATIN-RXN agmatine + H2O → urea + putrescine agmatinase Agmatinase
AGMATINE-DEIMINASE-RXN agmatine + H2O → ammonia + N-carbamoylputrescine + H+ agmatine deiminase Agmatine deiminase
ALLANTOINASE-RXN S-allantoin + H2O → allantoate + H+ allantoinase Allantoinase
DIHYDROPYRIMIDINASE-RXN 5,6-dihydrouracil + H2O → 3-ureidopropionate + H+ dihydropyrimidinase Dihydropyrimidinase
DIHYDROOROT-RXN (S)-dihydroorotate + H2O ← N-carbamoyl-L-aspartate + H+ dihydroorotase Dihydroorotase
3.5.2.17-RXN 5-hydroxyisourate + H2O → 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H imidazole-5-carboxylate + H+ hydroxyisourate hydrolase Hydroxyisourate hydrolase
ASPARAGHYD-RXN L-asparagine + H2O → L-aspartate + ammonia + H+ asparaginase Asparaginase
R311-RXN acrylamide + H2O = ammonia + acrylate + H+ Acrylamidase Amidase
R314-RXN nicotinamide + H2O = ammonia + nicotinate + H+ Nicotinamidase Amidase
UREASE-RXN urea + H2O → 2 ammonia + CO2 urease Urease
BETA-UREIDOPROPIONASE-RXN 3-ureidopropionate + H2O + H+ → β-alanine + ammonia + CO2 β-ureidopropionase Beta-ureidopropionase
FORMYLTHFDEFORMYL-RXN 10-formyl-tetrahydrofolate + H2O → formate + tetrahydrofolate + H+ formyltetrahydrofolate deformylase Formyltetrahydrofolate deformylase
N-CARBAMOYLPUTRESCINE-AMIDASE-RXN N-carbamoylputrescine + H2O + H+ → putrescine + CO2 + ammonia N-carbamoylputrescine amidase N-carbamoylputrescine amidase
NICOTINAMID-RXN nicotinamide + H2O → ammonia + nicotinate + H+ nicotinamidase Nicotinamidase
CITRULLINASE-RXN L-citrulline + H2O + H+ → L-ornithine + CO2 + ammonia citrullinase Citrullinase
ACETYLORNDEACET-RXN N-acetyl-L-ornithine + H2O → L-ornithine + acetate acetylornithine deacetylase Acetylornithine deacetylase
GLUTAMIN-RXN L-glutamine + H2O → L-glutamate + ammonia + H+ glutaminase Glutaminase
FUMARYLACETOACETASE-RXN 4-fumaryl-acetoacetate + H2O = fumarate + acetoacetate + H+ fumarylacetoacetase Fumarylacetoacetase
PHOSPHOLIPASE-C-RXN a phosphatidylcholine + H2O → phosphoryl-choline + a 1,2-diacylglycerol phospholipase C Phospholipase C
PHOSCHOL-RXN a phosphatidylcholine + H2O → a 1,2-diacylglycerol-3-phosphate + choline phospholipase D Phospholipase D
3.1.4.11-RXN a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + H2O → a 1,2-diacylglycerol + D-myo-inositol (1,4,5)-trisphosphate phosphoinositide phospholipase C 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase
RXN-7241 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate + H2O → D-myo-inositol (1,2,3,5,6) pentakisphosphate + phosphate 4-phytase NIL
ACID-PHOSPHATASE-RXN a phosphate monoester + H2O → phosphate + an alcohol acid phosphatase Acid phosphatase
RXNQT-4191 thiamine-phosphate + H2O → thiamin + phosphate acid phosphatase NIL
GPH-RXN 2-phosphoglycolate + H2O → glycolate + phosphate phosphoglycolate phosphatase Phosphoglycolate phosphatase
HISTIDPHOS-RXN L-histidinol-phosphate + H2O → histidinol + phosphate histidinol-phosphatase Histidinol-phosphatase
SUCROSE-PHOSPHATASE-RXN sucrose-6-phosphate + H2O → sucrose + phosphate sucrose-phosphate phosphatase Sucrose-phosphatase
XMPXAN-RXN xanthosine-5-phosphate + H2O → xanthosine + phosphate XMP-5'-nucleotidase NIL
F16BDEPHOS-RXN fructose-1,6-bisphosphate + H2O → D-fructose-6-phosphate + phosphate fructose-bisphosphatase Fructose-bisphosphatase
SEDOHEPTULOSE-BISPHOSPHATASE-RXN D-sedoheptulose-1,7-bisphosphate + H2O → phosphate + D-sedoheptulose-7-phosphate sedoheptulose-bisphosphatase Sedoheptulose-bisphosphatase
KDO-8PPHOSPHAT-RXN 3-deoxy-D-manno-octulosonate 8-P + H2O → 3-deoxy-D-manno-octulosonate + phosphate 3-deoxy-manno-octulosonate-8-phosphatase 3-deoxy-manno-octulosonate-8-phosphatase
AMP-DEPHOSPHORYLATION-RXN AMP + H2O → adenosine + phosphate AMP-5'-nucleotidase 5'-nucleotidase
TREHALOSEPHOSPHA-RXN trehalose 6-phosphate + H2O → trehalose + phosphate trehalose-phosphatase Trehalose-phosphatase
PHOSPHATIDATE-PHOSPHATASE-RXN a 1,2-diacylglycerol-3-phosphate + H2O → a 1,2-diacylglycerol + phosphate phosphatidate phosphatase Phosphatidate phosphatase
PGPPHOSPHA-RXN an L-1-phosphatidylglycerol-phosphate + H2O → an L-1-phosphatidyl-glycerol + phosphate phosphatidylglycerophosphatase Phosphatidylglycerophosphatase
RXN-5647 phosphoryl-choline + H2O → choline + phosphate phosphoethanolamine/phosphocholine phosphatase NIL
S-FORMYLGLUTATHIONE-HYDROLASE-RXN S-formylglutathione + H2O = formate + glutathione + H+ S-formylglutathione hydrolase S-formylglutathione hydrolase
3.1.2.14-RXN an oleoyl-[acp] + H2O → a holo-[acp] + oleate oleoyl-[acyl-carrier-protein] hydrolase Oleoyl-[acyl-carrier protein] hydrolase
3.1.2.21-RXN a dodecanoyl-[acp] + H2O → a holo-[acp] + laurate dodecanoyl-[acyl-carrier-protein] hydrolase Dodecanoyl-[acyl-carrier protein] hydrolase
RXN-9311 1,4-dihydroxy-2-naphthoyl-CoA + H2O → 1,4-dihydroxy-2-naphthoate + coenzyme A + H+ 1,4-dihydroxy-2-naphthoyl-CoA hydrolase NIL
PHOSPHOLIPASE-A2-RXN a phosphatidylcholine + H2O → a 1-acyl-2-lyso-glycerophosphocholine + a carboxylate phospholipase A2 Phospholipase A2
TRIACYLGLYCEROL-LIPASE-RXN a triacylglycerol + H2O → a diacylglycerol + a carboxylate triacylglycerol lipase Triacylglycerol lipase
RXN-2102 methylesterified 1,4-α-D-galacturonosyl + H2O → a homogalacturonan + methanol NIL pectin methylesterase
3.1.1.82-RXN pheophorbide a + H2O → pyropheophorbide a + methanol + CO2 pheophorbidase Pheophorbidase
PHOSPHOLIPASE-A1-RXN a phosphatidylcholine + H2O → a 1-lyso-2-acyl-sn-glycero-3-phosphocholine + a carboxylate + H+ phospholipase A1 Phospholipase A1
3.1.1.23-RXN 1-monoacylglycerol + H2O → a fatty acid + glycerol acylglycerol lipase Acylglycerol lipase
3.1.1.78-RXN polyneuridine aldehyde + H2O = methanol + CO2 + 16-epivellosimine polyneuridine-aldehyde esterase Polyneuridine-aldehyde esterase
3.4.11.1-RXN amino acids(n) + H2O → a standard α amino acid + amino acids(n-1) leucyl aminopeptidase Leucyl aminopeptidase
HISTPRATPHYD-RXN phosphoribosyl-ATP + H2O → 1-(5-phospho-D-ribosyl)-AMP + diphosphate + H+ phosphoribosyl-ATP diphosphatase Phosphoribosyl-ATP pyrophosphatase
NADPYROPHOSPHAT-RXN NAD+ + H2O → nicotinamide mononucleotide + AMP + 2 H+ NAD+ diphosphatase NAD+ pyrophosphatase
DUTP-PYROP-RXN dUTP + H2O → dUMP + diphosphate + H+ dUTP diphosphatase dUTP pyrophosphatase
ADENOSYLHOMOCYSTEINASE-RXN S-adenosyl-L-homocysteine + H2O → L-homocysteine + adenosine adenosylhomocysteinase Adenosylhomocysteinase
DIHYDROOROTATE-DEHYDROGENASE-RXN an electron-transfer-related quinone + (S)-dihydroorotate → an electron-transfer-related quinol + orotate dihydroorotate dehydrogenase (quinone) Dihydroorotate dehydrogenase
SUCCINATE-DEHYDROGENASE-UBIQUINONE-RXN succinate[in] + a ubiquinone → a ubiquinol + fumarate[in] succinate dehydrogenase (ubiquinone) Succinate dehydrogenase (ubiquinone)
RXN-12134 vernolate + H2O → 12,13-dihydroxyoctadeca-9-enoate epoxy hydrolase NIL
RXN-12136 vernolate + 2 NADPH + oxygen → 9,10-12,13-diepoxyoctadecanoate + 2 NADP+ + H2O linoleate epoxidase (CYP77A4) NIL
7 Reactions have differences in slot CANNOT-BALANCE? between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
RXN-8391 a Δ4-hexadecenoyl-[acp] + a malonyl-[acp] → a 3-oxo-petroslinoyl-[acp] + a holo-[acp] + CO2 NIL T
RXN-7904 a fatty acid + ATP + coenzyme A → a long-chain acyl-CoA + diphosphate + AMP T NIL
RXN-9725 cyanidin + NADPH → epicatechin + NADP+ + H2O T NIL
PYRIMSYN1-RXN 5-aminoimidazole ribonucleotide + S-adenosyl-L-methionine → hydroxymethylpyrimidine phosphate + 5'-deoxyadenosine + L-methionine + formate + carbon monoxide + 3 H+ NIL T
RXN-9189 2-oxohexa-4,5-cyclopropyl-5-enoate → L-α-(methylenecyclopropyl)-glycine T NIL
RXN-9170 2-oxopenta-3,4-dienoate → 2-oxohexa-4,5-cyclopropyl-5-enoate T NIL
RXN-9167 2-oxobutanoate → 5-hydroxy-2-oxopentanoate T NIL
1 Reactions have differences in slot STD-REDUCTION-POTENTIAL between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
RXN0-5259 an electron-transfer-related quinone + 2 H+[in] + 2 e- → an electron-transfer-related quinol 0.11 0
12 Reactions have differences in slot REACTION-DIRECTION between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
ACYLCOASYN-RXN a fatty acid + ATP + coenzyme A → a 2,3,4-saturated fatty acyl CoA + diphosphate + AMP PHYSIOL-LEFT-TO-RIGHT NIL
OHACYL-COA-DEHYDROG-RXN a (3S)-3-hydroxyacyl-CoA + NAD+ → a 3-oxoacyl-CoA + NADH + H+ PHYSIOL-LEFT-TO-RIGHT NIL
THIOREDOXIN-REDUCT-NADPH-RXN a reduced thioredoxin + NADP+ ← an oxidized thioredoxin + NADPH + H+ PHYSIOL-RIGHT-TO-LEFT NIL
ENOYL-COA-HYDRAT-RXN a (3S)-3-hydroxyacyl-CoA ← a trans-2,3-dehydroacyl-CoA + H2O PHYSIOL-RIGHT-TO-LEFT NIL
PYRIMSYN1-RXN 5-aminoimidazole ribonucleotide + S-adenosyl-L-methionine → hydroxymethylpyrimidine phosphate + 5'-deoxyadenosine + L-methionine + formate + carbon monoxide + 3 H+ IRREVERSIBLE-LEFT-TO-RIGHT NIL
KETOACYLCOATHIOL-RXN a 2,3,4-saturated fatty acyl CoA + acetyl-CoA ← a 3-oxoacyl-CoA + coenzyme A PHYSIOL-RIGHT-TO-LEFT NIL
RXN0-947 an octanoyl-[acp] + a non-lipoylated protein-lipoyl domain → an octanoylated protein lipoyl-domain + a holo-[acp] PHYSIOL-LEFT-TO-RIGHT NIL
PHOSPHOGLUCMUT-RXN α-D-glucose 1-phosphate = α-D-glucose 6-phosphate REVERSIBLE NIL
GLUCOSE-6-PHOSPHATE-1-EPIMERASE-RXN α-D-glucose 6-phosphate → β-D-glucose-6-phosphate REVERSIBLE NIL
3.4.11.1-RXN amino acids(n) + H2O → a standard α amino acid + amino acids(n-1) PHYSIOL-LEFT-TO-RIGHT NIL
NADH-DEHYDROG-A-RXN a ubiquinone + NADH[in] + H+[in] → NAD+[in] + a ubiquinol REVERSIBLE NIL
SPONTPRO-RXN L-glutamate γ-semialdehyde = (S)-1-pyrroline-5-carboxylate + H2O + H+ REVERSIBLE NIL
Pathways
109 Pathways have toplogical differences between MaizeCyc and PlantCyc.
ID Name Slot MaizeCyc Value PlantCyc Value
PWY-2261 ascorbate glutathione cycle LAYOUT-ADVICE (CYCLE-TOP-CPD . ASCORBATE) (CYCLE-TOP-CPD . CPD-318)
PRIMARIES ((1.8.5.1-RXN (L-DEHYDRO-ASCORBATE) (ASCORBATE)) (RXN-3541 (ASCORBATE) (CPD-318)) (RXN-3523 (CPD-318) (L-DEHYDRO-ASCORBATE)) (RXN-3522 (CPD-318) (ASCORBATE)) (RXN-3521 (ASCORBATE) (CPD-318)) (GLUTATHIONE-REDUCT-NADPH-RXN (OXIDIZED-GLUTATHIONE) (GLUTATHIONE))) ((RXN-3541 (ASCORBATE) (CPD-318)) (RXN-3523 (CPD-318) (L-DEHYDRO-ASCORBATE)) (RXN-3522 (CPD-318) (ASCORBATE)) (RXN-3521 (ASCORBATE) (CPD-318)) (GLUTATHIONE-REDUCT-NADPH-RXN (OXIDIZED-GLUTATHIONE) (GLUTATHIONE)) (1.8.5.1-RXN (L-DEHYDRO-ASCORBATE) (ASCORBATE)) (1.6.5.4-RXN (CPD-318) (ASCORBATE)) (L-ASCORBATE-PEROXIDASE-RXN (ASCORBATE) (L-DEHYDRO-ASCORBATE)))
PREDECESSORS ((RXN-3522 RXN-3521) (RXN-3523 RXN-3522) (RXN-3521 RXN-3522) (RXN-3523 RXN-3521) (1.8.5.1-RXN RXN-3523) (RXN-3521 1.8.5.1-RXN)) ((GLUTATHIONE-REDUCT-NADPH-RXN 1.8.5.1-RXN) (RXN-3521 RXN-3522) (RXN-3522 RXN-3541) (RXN-3523 RXN-3521) (RXN-3523 RXN-3541) (1.8.5.1-RXN RXN-3523) (RXN-3521 1.8.5.1-RXN) (RXN-3541 1.8.5.1-RXN))
REACTION-LIST (RXN-3523 RXN-3522 RXN-3521 1.8.5.1-RXN) (RXN-3541 RXN-3523 RXN-3522 RXN-3521 GLUTATHIONE-REDUCT-NADPH-RXN 1.8.5.1-RXN)
DETOX1-PWY superoxide radicals degradation PRIMARIES ((SUPEROX-DISMUT-RXN (SUPER-OXIDE) (HYDROGEN-PEROXIDE)) (CATAL-RXN (HYDROGEN-PEROXIDE) (OXYGEN-MOLECULE))) ((SUPEROX-DISMUT-RXN (SUPER-OXIDE PROTON) (OXYGEN-MOLECULE HYDROGEN-PEROXIDE)) (CATAL-RXN (HYDROGEN-PEROXIDE) (OXYGEN-MOLECULE)))
PWY-3781 aerobic respiration -- electron donor II PRIMARIES ((NADH-DEHYDROG-A-RXN (|Ubiquinones| NADH) (|Ubiquinols| NAD)) (SUCCINATE-DEHYDROGENASE-UBIQUINONE-RXN (|Ubiquinones| SUC) (|Ubiquinols| FUM)) (CYTOCHROME-C-OXIDASE-RXN (OXYGEN-MOLECULE) (WATER)) (1.10.2.2-RXN (|Cytochromes-C-Oxidized| |Ubiquinols|) (|Cytochromes-C-Reduced| |Ubiquinones|))) ((SUCCINATE-DEHYDROGENASE-UBIQUINONE-RXN (|Ubiquinones| SUC) (|Ubiquinols| FUM)) (CYTOCHROME-C-OXIDASE-RXN (OXYGEN-MOLECULE) (WATER)) (1.10.2.2-RXN (|Cytochromes-c| |Ubiquinols|) (|Cytochromes-C-Reduced| |Ubiquinones|)))
PREDECESSORS ((SUCCINATE-DEHYDROGENASE-UBIQUINONE-RXN 1.10.2.2-RXN) (NADH-DEHYDROG-A-RXN 1.10.2.2-RXN) (1.10.2.2-RXN SUCCINATE-DEHYDROGENASE-UBIQUINONE-RXN) (1.10.2.2-RXN NADH-DEHYDROG-A-RXN) (CYTOCHROME-C-OXIDASE-RXN 1.10.2.2-RXN) (1.10.2.2-RXN CYTOCHROME-C-OXIDASE-RXN)) ((SUCCINATE-DEHYDROGENASE-UBIQUINONE-RXN 1.10.2.2-RXN) (1.10.2.2-RXN SUCCINATE-DEHYDROGENASE-UBIQUINONE-RXN) (CYTOCHROME-C-OXIDASE-RXN 1.10.2.2-RXN) (1.10.2.2-RXN CYTOCHROME-C-OXIDASE-RXN))
PWY-181 photorespiration PRIMARIES ((SERINE-GLYOXYLATE-AMINOTRANSFERASE-RXN (SER GLYOX) (OH-PYR)) (RXN-969 (GLYCOLLATE) (HYDROGEN-PEROXIDE GLYOX)) (RXN-961 (D-RIBULOSE-15-P2) (CPD-67)) (GLY3KIN-RXN (GLYCERATE) (G3P)) (GLYCERATE-DEHYDROGENASE-RXN (OH-PYR) (GLYCERATE)) (GLYOHMETRANS-RXN (METHYLENE-THF) (SER)) (GCVMULTI-RXN (GLY) (METHYLENE-THF)) (GLYCINE-AMINOTRANSFERASE-RXN (GLYOX) (GLY)) (GPH-RXN (CPD-67) (GLYCOLLATE))) ((RXN-969 (GLYCOLLATE) (HYDROGEN-PEROXIDE GLYOX)) (RXN-961 (D-RIBULOSE-15-P2) (CPD-67)) (SERINE-GLYOXYLATE-AMINOTRANSFERASE-RXN (SER GLYOX) (GLY OH-PYR)) (GLY3KIN-RXN (GLYCERATE) (G3P)) (GLYCERATE-DEHYDROGENASE-RXN (OH-PYR) (GLYCERATE)) (RXN-974 (SER) (OH-PYR)) (GLYOHMETRANS-RXN (METHYLENE-THF) (SER)) (GCVMULTI-RXN (GLY) (METHYLENE-THF)) (GLYCINE-AMINOTRANSFERASE-RXN (GLYOX) (GLY)) (GPH-RXN (CPD-67) (GLYCOLLATE)) (RXN-971 (GLY) (METHYLENE-THF)) (RXN-970 (GLYOX) (GLY)))
PWY-101 photosynthesis light reactions PRIMARIES ((PSII-RXN (WATER) (PLASTOQUINOL-1)) (1.18.1.2-RXN NIL (NADPH))) NIL
PREDECESSORS ((RXN490-3650 PLASTOQUINOL--PLASTOCYANIN-REDUCTASE-RXN) (PLASTOQUINOL--PLASTOCYANIN-REDUCTASE-RXN PSII-RXN) (1.18.1.2-RXN RXN490-3650)) ((RXN-924 PSII-RXN) (PSII-RXN))
REACTION-LIST (PLASTOQUINOL--PLASTOCYANIN-REDUCTASE-RXN 1.18.1.2-RXN RXN490-3650 PSII-RXN) (RXN-924 PSII-RXN)
PWY-6118 glycerol-3-phosphate shuttle PREDECESSORS ((1.1.1.8-RXN RXN0-5260) (RXN0-5260 1.1.1.8-RXN)) ((1.1.1.8-RXN RXN-9927) (RXN-9927 1.1.1.8-RXN))
REACTION-LIST (RXN0-5260 1.1.1.8-RXN) (RXN-9927 1.1.1.8-RXN)
GLYOXYLATE-BYPASS glyoxylate cycle LAYOUT-ADVICE (CYCLE-TOP-CPD . GLYOX) NIL
PRIMARIES (MALSYN-RXN (GLYOX ACETYL-COA) NIL) NIL
PWY-5486 pyruvate fermentation to ethanol II PRIMARIES ((ALCOHOL-DEHYDROG-RXN (ACETALD) (ETOH)) (RXN-6161 (PYRUVATE) (ACETALD))) ((RXN-6182 (ALPHA-GLC-6-P) (FRUCTOSE-6P)) (PHOSPHOGLUCMUT-RXN (GLC-1-P) (ALPHA-GLC-6-P)) (PEPDEPHOS-RXN (PHOSPHO-ENOL-PYRUVATE) (PYRUVATE)) (L-LACTATE-DEHYDROGENASE-RXN (PYRUVATE) (L-LACTATE)) (PGLUCISOM-RXN (GLC-6-P) (FRUCTOSE-6P)) (ALCOHOL-DEHYDROG-RXN (ACETALD) (ETOH)) (RXN-6161 (PYRUVATE) (ACETALD)) (2PGADEHYDRAT-RXN (2-PG) (PHOSPHO-ENOL-PYRUVATE)) (3PGAREARR-RXN (G3P) (2-PG)) (TRIOSEPISOMERIZATION-RXN (DIHYDROXY-ACETONE-PHOSPHATE) (GAP)) (PHOSGLYPHOS-RXN (DPG) (G3P)) (GAPOXNPHOSPHN-RXN (GAP) (DPG)) (F16ALDOLASE-RXN (FRUCTOSE-16-DIPHOSPHATE) (DIHYDROXY-ACETONE-PHOSPHATE GAP)) (6PFRUCTPHOS-RXN (FRUCTOSE-6P) (FRUCTOSE-16-DIPHOSPHATE)) (FRUCTOKINASE-RXN (FRU) (FRUCTOSE-6P)) (GLUC1PURIDYLTRANS-RXN (UDP-GLUCOSE) (GLC-1-P)) (SUCROSE-SYNTHASE-RXN (SUCROSE) (FRU UDP-GLUCOSE)))
PWY-5723 Rubisco shunt PRIMARIES ((TRANSALDOL-RXN (ERYTHROSE-4P) (GAP D-SEDOHEPTULOSE-7-P)) (2TRANSKETO-RXN (FRUCTOSE-6P) (ERYTHROSE-4P)) (2PGADEHYDRAT-RXN (2-PG) (PHOSPHO-ENOL-PYRUVATE)) (PEPDEPHOS-RXN (PHOSPHO-ENOL-PYRUVATE) (PYRUVATE)) (PHOSPHORIBULOKINASE-RXN (RIBULOSE-5P) (D-RIBULOSE-15-P2)) (RIBULOSE-BISPHOSPHATE-CARBOXYLASE-RXN (D-RIBULOSE-15-P2) (G3P)) (1TRANSKETO-RXN (GAP D-SEDOHEPTULOSE-7-P) (XYLULOSE-5-PHOSPHATE RIBOSE-5P))) ((2PGADEHYDRAT-RXN (2-PG) (PHOSPHO-ENOL-PYRUVATE)) (PEPDEPHOS-RXN (PHOSPHO-ENOL-PYRUVATE) (PYRUVATE)) (PHOSPHORIBULOKINASE-RXN (RIBULOSE-5P) (D-RIBULOSE-15-P2)) (RIBULOSE-BISPHOSPHATE-CARBOXYLASE-RXN (D-RIBULOSE-15-P2) (G3P)) (1TRANSKETO-RXN (GAP D-SEDOHEPTULOSE-7-P) (XYLULOSE-5-PHOSPHATE RIBOSE-5P)) (2TRANSKETO-RXN (GAP FRUCTOSE-6P) (XYLULOSE-5-PHOSPHATE ERYTHROSE-4P)))
PWY-5136 fatty acid β-oxidation II (core pathway) POLYMERIZATION-LINKS (Saturated-Fatty-Acyl-CoA KETOACYLCOATHIOL-RXN RXN-11026) NIL
PRIMARIES ((KETOACYLCOATHIOL-RXN (3-KETOACYL-COA) (ACYL-COA |Saturated-Fatty-Acyl-CoA|)) (OHACYL-COA-DEHYDROG-RXN (L-3-HYDROXYACYL-COA) (3-KETOACYL-COA)) (ENOYL-COA-HYDRAT-RXN (TRANS-D2-ENOYL-COA) (L-3-HYDROXYACYL-COA)) (ACYLCOASYN-RXN (|Fatty-Acids|) (ACYL-COA)) (ACYL-COA-OXIDASE-RXN (ACYL-COA) (TRANS-D2-ENOYL-COA))) ((OHACYL-COA-DEHYDROG-RXN (L-3-HYDROXYACYL-COA) (3-KETOACYL-COA)) (KETOACYLCOATHIOL-RXN (3-KETOACYL-COA) (ACYL-COA)) (ENOYL-COA-HYDRAT-RXN (TRANS-D2-ENOYL-COA) (L-3-HYDROXYACYL-COA)) (ACYLCOASYN-RXN (|Fatty-Acids|) (ACYL-COA)) (ACYL-COA-OXIDASE-RXN (ACYL-COA) (TRANS-D2-ENOYL-COA)))
PWY-5137 fatty acid β-oxidation III (unsaturated, odd number) PRIMARIES ((ENOYL-COA-DELTA-ISOM-RXN (CIS-DELTA3-ENOYL-COA) (TRANS-D2-ENOYL-COA))) ((OHACYL-COA-DEHYDROG-RXN (L-3-HYDROXYACYL-COA) (3-KETOACYL-COA)) (KETOACYLCOATHIOL-RXN (3-KETOACYL-COA) (ACYL-COA)) (ENOYL-COA-HYDRAT-RXN (TRANS-D2-ENOYL-COA) (L-3-HYDROXYACYL-COA)) (ENOYL-COA-DELTA-ISOM-RXN (CIS-DELTA3-ENOYL-COA) (TRANS-D2-ENOYL-COA)))
PWY-5138 fatty acid β-oxidation IV (unsaturated, even number) PRIMARIES ((RXN-7838 (|Cis-2-enoyl-CoAs|) (D-3-HYDROXYACYL-COA)) (RXN-7699 (D-3-HYDROXYACYL-COA) (TRANS-D2-ENOYL-COA)) (RXN-7835 (|2-trans-4-cis-dienoyl-CoAs|) (|Trans-3-enoyl-CoAs|))) ((KETOACYLCOATHIOL-RXN (3-KETOACYL-COA) (ACYL-COA)) (OHACYL-COA-DEHYDROG-RXN (L-3-HYDROXYACYL-COA) (3-KETOACYL-COA)) (RXN-7838 (|Cis-2-enoyl-CoAs|) (D-3-HYDROXYACYL-COA)) (RXN-7699 (D-3-HYDROXYACYL-COA) (TRANS-D2-ENOYL-COA)) (RXN-7835 (|2-trans-4-cis-dienoyl-CoAs|) (|Trans-3-enoyl-CoAs|)))
LIPASYN-PWY phospholipases PRIMARIES ((3.1.4.11-RXN (PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA) (DIACYLGLYCEROL)) (PHOSPHOLIPASE-C-RXN (PHOSPHATIDYLCHOLINE) (DIACYLGLYCEROL)) (PHOSPHOLIPASE-A2-RXN (PHOSPHATIDYLCHOLINE) (|1-Acylglycero-Phosphocholines| |Fatty-Acids|)) (PHOSPHOLIPASE-A1-RXN (PHOSPHATIDYLCHOLINE) (|2-Acylglycero-Phosphocholines|)) (PHOSCHOL-RXN (PHOSPHATIDYLCHOLINE) (L-PHOSPHATIDATE))) ((PHOSCHOL-RXN (PHOSPHATIDYLCHOLINE) (L-PHOSPHATIDATE)) (PHOSPHOLIPASE-A2-RXN (PHOSPHATIDYLCHOLINE) (|1-Acylglycero-Phosphocholines| |Fatty-Acids|)) (PHOSPHOLIPASE-A1-RXN (PHOSPHATIDYLCHOLINE) (|2-Acylglycero-Phosphocholines|)) (3.1.4.11-RXN (PHOSPHATIDYL-MYO-INOSITOL-45-BISPHOSPHA) (DIACYLGLYCEROL INOSITOL-1-4-5-TRISPHOSPHATE)))
PREDECESSORS (3.1.4.11-RXN) NIL
ASPARAGINE-DEG1-PWY asparagine degradation I PREDECESSORS (ASPARAGHYD-RXN) NIL
PWY-701 methionine degradation II PREDECESSORS (METHIONINE-GAMMA-LYASE-RXN) NIL
GLYCLEAV-PWY glycine cleavage complex PRIMARIES NIL ((GCVMULTI-RXN (GLY) NIL) (GLYOHMETRANS-RXN NIL (GLY)))
VALDEG-PWY valine degradation I PREDECESSORS ((RXN-11213 3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN) (2.6.1.22-RXN 3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN) (3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN METHYLACYLYLCOA-HYDROXY-RXN) (3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN 3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN) (METHYLACYLYLCOA-HYDROXY-RXN MEPROPCOA-FAD-RXN) (1.2.1.25-RXN BRANCHED-CHAINAMINOTRANSFERVAL-RXN) (MEPROPCOA-FAD-RXN 1.2.1.25-RXN)) ((MEPROPCOA-FAD-RXN 1.2.1.25-RXN) (1.2.1.25-RXN BRANCHED-CHAINAMINOTRANSFERVAL-RXN) (METHYLACYLYLCOA-HYDROXY-RXN MEPROPCOA-FAD-RXN) (3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN 3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN) (1.2.1.27-RXN 3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN) (3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN METHYLACYLYLCOA-HYDROXY-RXN))
REACTION-LIST (RXN-11213 2.6.1.22-RXN 1.2.1.25-RXN 3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN 3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN METHYLACYLYLCOA-HYDROXY-RXN MEPROPCOA-FAD-RXN BRANCHED-CHAINAMINOTRANSFERVAL-RXN) (1.2.1.25-RXN 1.2.1.27-RXN 3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN 3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN METHYLACYLYLCOA-HYDROXY-RXN MEPROPCOA-FAD-RXN BRANCHED-CHAINAMINOTRANSFERVAL-RXN)
LEU-DEG2-PWY leucine degradation I PREDECESSORS ((HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN METHYLGLUTACONYL-COA-HYDRATASE-RXN) (METHYLGLUTACONYL-COA-HYDRATASE-RXN METHYLCROTONYL-COA-CARBOXYLASE-RXN) (METHYLCROTONYL-COA-CARBOXYLASE-RXN RXN0-2301) (2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN BRANCHED-CHAINAMINOTRANSFERLEU-RXN) (RXN0-2301 2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN)) ((ISOVALERYL-COA-FAD-RXN 2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN) (2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN BRANCHED-CHAINAMINOTRANSFERLEU-RXN) (METHYLCROTONYL-COA-CARBOXYLASE-RXN ISOVALERYL-COA-FAD-RXN) (METHYLGLUTACONYL-COA-HYDRATASE-RXN METHYLCROTONYL-COA-CARBOXYLASE-RXN) (HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN METHYLGLUTACONYL-COA-HYDRATASE-RXN))
REACTION-LIST (RXN0-2301 HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN METHYLGLUTACONYL-COA-HYDRATASE-RXN METHYLCROTONYL-COA-CARBOXYLASE-RXN 2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN BRANCHED-CHAINAMINOTRANSFERLEU-RXN) (HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN METHYLGLUTACONYL-COA-HYDRATASE-RXN METHYLCROTONYL-COA-CARBOXYLASE-RXN 2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN ISOVALERYL-COA-FAD-RXN BRANCHED-CHAINAMINOTRANSFERLEU-RXN)
PWY66-21 ethanol degradation II (cytosol) PRIMARIES ((ACETATE--COA-LIGASE-RXN (ACET) (ACETYL-COA))) ((ACETATE--COA-LIGASE-ADP-FORMING-RXN (ACET) (ACETYL-COA)) (ACETATE--COA-LIGASE-RXN (ACET) (ACETYL-COA)) (ACETYL-COA-HYDROLASE-RXN (ACET) (ACETYL-COA)))
PWY66-162 ethanol degradation IV (peroxisomal) PRIMARIES ((ACETATE--COA-LIGASE-RXN NIL (ACETYL-COA))) ((ACETYL-COA-HYDROLASE-RXN NIL (ACETYL-COA)) (ACETATE--COA-LIGASE-RXN NIL (ACETYL-COA)) (ACETATE--COA-LIGASE-ADP-FORMING-RXN (ACET) (ACETYL-COA)))
PWY-4261 glycerol degradation IV PRIMARIES ((RXN0-5260 (GLYCEROL-3P) (DIHYDROXY-ACETONE-PHOSPHATE)) (GLYCEROL-KIN-RXN (GLYCEROL) (GLYCEROL-3P))) ((RXN-9927 (GLYCEROL-3P) (DIHYDROXY-ACETONE-PHOSPHATE)) (GLYCEROL-KIN-RXN (GLYCEROL) (GLYCEROL-3P)))
PREDECESSORS (RXN0-5260 GLYCEROL-KIN-RXN) (RXN-9927 GLYCEROL-KIN-RXN)
REACTION-LIST (RXN0-5260 GLYCEROL-KIN-RXN) (RXN-9927 GLYCEROL-KIN-RXN)
PWY-5698 allantoin degradation to ureidoglycolate II (ammonia producing) PRIMARIES NIL (UREIDOGLYCOLATE-LYASE-RXN (CPD-1091) (GLYOX))
PWY-5704 urea degradation II PRIMARIES ((UREASE-RXN NIL (AMMONIA))) ((UREASE-RXN NIL (AMMONIA)) (ALLOPHANATE-HYDROLASE-RXN NIL (AMMONIA)) (ALLANTOICASE-RXN NIL (UREA CPD-1091)) (UREIDOGLYCOLATE-LYASE-RXN (CPD-1091) NIL))
PWY-102 gibberellin inactivation I (2β-hydroxylation) PRIMARIES ((RXN-886 (CPD-638) (CPD-885)) (RXN-991 (CPD-695) (CPD-477)) (RXN-947 (CPD1F-95) (CPD-475)) (RXN-292 (CPD-6224) (CPD-632)) (RXN-6550 (CPD1F-137) (CPD-6224)) (RXN-172 (CPD-482) (CPD-498)) (RXN-171 (CPD1F-134) (CPD-482)) (RXN-114 (CPD-236) (CPD-251)) (RXN-113 (CPD1F-140) (CPD-236)) (RXN-118 (CPD-204) (CPD-229)) (RXN-115 (CPD1F-139) (CPD-204))) ((RXN-886 (CPD-638) (CPD-885)) (RXN-991 (CPD-695) (CPD-477)) (RXN-947 (CPD1F-95) (CPD-475)) (RXN-292 (CPD-6224) (CPD-632)) (RXN-6550 (CPD1F-137) (CPD-6224)) (RXN1F-165 (CPD1F-134) (CPD1F-137)) (RXN-172 (CPD-482) (CPD-498)) (RXN-171 (CPD1F-134) (CPD-482)) (RXN1F-170 (CPD1F-140) (CPD1F-139)) (RXN-114 (CPD-236) (CPD-251)) (RXN-113 (CPD1F-140) (CPD-236)) (RXN-118 (CPD-204) (CPD-229)) (RXN-115 (CPD1F-139) (CPD-204)))
PWY-4101 sorbitol degradation I PRIMARIES ((RXN-7644 (SORBITOL) (FRU))) ((RXN-7644 (SORBITOL) (FRU)) (PGLUCISOM-RXN (GLC-6-P) (FRUCTOSE-6P)) (F16ALDOLASE-RXN (FRUCTOSE-16-DIPHOSPHATE) (DIHYDROXY-ACETONE-PHOSPHATE GAP)) (ALDOSE-6-PHOSPHATE-REDUCTASE-NADPH-RXN (D-SORBITOL-6-P) (GLC-6-P)) (6PFRUCTPHOS-RXN (FRUCTOSE-6P) (FRUCTOSE-16-DIPHOSPHATE)))
PWY-4781 phytate degradation II PRIMARIES ((RXN-7305 (CPD-6783) (CPD-6746)) (6-PHYT-RXN (MI-HEXAKISPHOSPHATE) (MI-PENTAKISPHOSPHATE)) (RXN-7304 (CPD-6782) (CPD-6783)) (RXN-7303 (CPD-6781) (CPD-6782)) (RXN-7246 (CPD-6747) (CPD-6746)) (RXN-7250 (CPD-6745) (CPD-6747)) (RXN-7302 (CPD-6781) (CPD-6745)) (RXN-7301 (MI-PENTAKISPHOSPHATE) (CPD-6781))) ((RXN-7305 (CPD-6783) (CPD-6746)) (6-PHYT-RXN (MI-HEXAKISPHOSPHATE) (MI-PENTAKISPHOSPHATE)) (RXN-7304 (CPD-6782) (CPD-6783)) (RXN-7303 (CPD-6781) (CPD-6782)) (RXN-7246 (CPD-6747) (CPD-6746)) (RXN-7250 (CPD-6745) (CPD-6747)) (RXN-7302 (CPD-6781) (CPD-6745)) (RXN-7301 (MI-PENTAKISPHOSPHATE) (CPD-6781)) (RXN0-1001 (MI-HEXAKISPHOSPHATE) (CPD-534)))
PWY-5691 urate degradation to allantoin PRIMARIES NIL ((R14-RXN NIL (GLYOX)) (UREIDOGLYCOLATE-LYASE-RXN (CPD-1091) (GLYOX)))
SULFMETII-PWY sulfate reduction II (assimilatory) PRIMARIES ((SULFITE-REDUCTASE-FERREDOXIN-RXN (SO3) (HS)) (1.8.4.9-RXN (APS) (SO3)) (SULFATE-ADENYLYLTRANS-RXN (SULFATE) (APS))) ((ACSERLY-RXN NIL (CYS)) (ADENYLYLSULFKIN-RXN (APS) (PAPS)) (SULFITE-REDUCTASE-FERREDOXIN-RXN (SO3) (HS)) (1.8.4.9-RXN (APS) (SO3)) (HOMOCYSMET-RXN (HOMO-CYS) (MET)) (SERINE-O-ACETTRAN-RXN (SER) (ACETYLSERINE)) (SULFATE-ADENYLYLTRANS-RXN (SULFATE) (APS)))
PWY-5340 sulfate activation for sulfonation PRIMARIES ((SULFATE-ADENYLYLTRANS-RXN (SULFATE) (APS))) ((ACSERLY-RXN NIL (CYS)) (ADENYLYLSULFKIN-RXN (APS) (PAPS)) (SULFITE-REDUCTASE-FERREDOXIN-RXN (SO3) (HS)) (1.8.4.9-RXN (APS) (SO3)) (HOMOCYSMET-RXN (HOMO-CYS) (MET)) (SERINE-O-ACETTRAN-RXN (SER) (ACETYLSERINE)) (SULFATE-ADENYLYLTRANS-RXN (SULFATE) (APS)))
PWY-381 nitrate reduction II (assimilatory) PRIMARIES ((GLUTAMINESYN-RXN (AMMONIA) (GLN))) ((NITRATE-REDUCTASE-NADH-RXN (NITRATE) (NITRITE)) (GLUTAMINESYN-RXN (AMMONIA) (GLN)))
PWY-4984 urea cycle PRIMARIES ((6.3.4.16-RXN (AMMONIA) (CARBAMOYL-P))) ((ARGINASE-RXN (ARG) (L-ORNITHINE)) (ARGSUCCINSYN-RXN (L-CITRULLINE) (L-ARGININO-SUCCINATE)) (ORNCARBAMTRANSFER-RXN (L-ORNITHINE) (L-CITRULLINE)) (6.3.4.16-RXN (AMMONIA) (CARBAMOYL-P)))
PREDECESSORS ((ORNCARBAMTRANSFER-RXN 6.3.4.16-RXN) (ARGSUCCINSYN-RXN ORNCARBAMTRANSFER-RXN) (ARGSUCCINLYA-RXN ARGSUCCINSYN-RXN) (ARGINASE-RXN ARGSUCCINLYA-RXN) (ORNCARBAMTRANSFER-RXN ARGINASE-RXN)) ((6.3.4.16-RXN) (ARGINASE-RXN ARGSUCCINLYA-RXN) (ARGSUCCINLYA-RXN ARGSUCCINSYN-RXN) (ARGSUCCINSYN-RXN ORNCARBAMTRANSFER-RXN) (ORNCARBAMTRANSFER-RXN ARGINASE-RXN))
PYRUVDEHYD-PWY acetyl-CoA biosynthesis (from pyruvate) LAYOUT-ADVICE (CYCLE-TOP-CPD . Pyruvate-dehydrogenase-lipoate) (CYCLE-TOP-CPD ACETYLDIHYDROLIPOYL-PYR-E2)
PRIMARIES ((RXN0-1133 (|Pyruvate-dehydrogenase-acetylDHlipoyl|) (|Pyruvate-dehydrogenase-dihydrolipoate| ACETYL-COA)) (RXN0-1134 (|Pyruvate-dehydrogenase-lipoate| PYRUVATE) (|Pyruvate-dehydrogenase-acetylDHlipoyl|))) NIL
PWY-621 sucrose degradation III PRIMARIES ((PHOSPHOGLUCMUT-RXN (GLC-1-P) (ALPHA-GLC-6-P)) (GLUC1PURIDYLTRANS-RXN (UDP-GLUCOSE) (GLC-1-P)) (FRUCTOKINASE-RXN (BETA-D-FRUCTOSE) (FRUCTOSE-6P)) (PGLUCISOM-RXN (GLC-6-P) (FRUCTOSE-6P)) (GLUCOSE-6-PHOSPHATE-1-EPIMERASE-RXN (ALPHA-GLC-6-P) (GLC-6-P)) (RXN-1685 (ALPHA-GLUCOSE) (GLC-6-P)) (SUCROSE-SYNTHASE-RXN (SUCROSE) (BETA-D-FRUCTOSE UDP-GLUCOSE)) (RXN-1461 (SUCROSE) (BETA-D-FRUCTOSE ALPHA-GLUCOSE))) ((PHOSPHOGLUCMUT-RXN (GLC-1-P) (ALPHA-GLC-6-P)) (GLUC1PURIDYLTRANS-RXN (UDP-GLUCOSE) (GLC-1-P)) (FRUCTOKINASE-RXN (FRU) (FRUCTOSE-6P)) (PGLUCISOM-RXN (GLC-6-P) (FRUCTOSE-6P)) (GLUCOSE-6-PHOSPHATE-1-EPIMERASE-RXN (ALPHA-GLC-6-P) (GLC-6-P)) (RXN-1685 (ALPHA-GLUCOSE) (GLC-6-P)) (SUCROSE-SYNTHASE-RXN (SUCROSE) (FRU UDP-GLUCOSE)) (RXN-1461 (SUCROSE) (FRU ALPHA-GLUCOSE)) (ALDOSE-1-EPIMERASE-RXN (ALPHA-GLUCOSE) (GLC)) (GLUCOKIN-RXN (GLC) (CPD-222)))
PWY-1121 suberin biosynthesis PREDECESSORS ((TYRAMINE-N-FERULOYLTRANSFERASE-RXN CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN) (TYRAMINE-N-FERULOYLTRANSFERASE-RXN 6.2.1.34-RXN) (TRANS-CINNAMATE-4-MONOOXYGENASE-RXN PHENYLALANINE-AMMONIA-LYASE-RXN) (RXN-1103 TRANS-CINNAMATE-4-MONOOXYGENASE-RXN) (RXN-1104 RXN-1103) (RXN-1126 RXN-1103) (CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN RXN-1126) (6.2.1.34-RXN RXN-1104) (RXN-2121 RXN-1063) (RXN-2122 RXN-2121)) ((RXN-12157 RXN-12156) (RXN-12156 RXN-12155) (RXN-12155) (TYRAMINE-N-FERULOYLTRANSFERASE-RXN CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN) (TYRAMINE-N-FERULOYLTRANSFERASE-RXN 6.2.1.34-RXN) (TRANS-CINNAMATE-4-MONOOXYGENASE-RXN PHENYLALANINE-AMMONIA-LYASE-RXN) (RXN-1103 TRANS-CINNAMATE-4-MONOOXYGENASE-RXN) (RXN-1104 RXN-1103) (RXN-1126 RXN-1103) (CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN RXN-1126) (6.2.1.34-RXN RXN-1104) (RXN-2121 RXN-1063) (RXN-2122 RXN-2121))
REACTION-LIST (6.2.1.34-RXN RXN-2122 RXN-2121 RXN-1063 TYRAMINE-N-FERULOYLTRANSFERASE-RXN RXN-1103 CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN RXN-1126 RXN-1104 TRANS-CINNAMATE-4-MONOOXYGENASE-RXN PHENYLALANINE-AMMONIA-LYASE-RXN) (RXN-12156 RXN-12157 RXN-12155 6.2.1.34-RXN RXN-2122 RXN-2121 RXN-1063 TYRAMINE-N-FERULOYLTRANSFERASE-RXN RXN-1103 CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN RXN-1126 RXN-1104 TRANS-CINNAMATE-4-MONOOXYGENASE-RXN PHENYLALANINE-AMMONIA-LYASE-RXN)
PWY-5041 S-adenosyl-L-methionine cycle II PRIMARIES ((HOMOCYSMET-RXN (HOMO-CYS) (MET)) (RXN-7605 (S-ADENOSYLMETHIONINE) (ADENOSYL-HOMO-CYS)) (ADENOSYLHOMOCYSTEINASE-RXN (ADENOSYL-HOMO-CYS) (HOMO-CYS)) (S-ADENMETSYN-RXN (MET) (S-ADENOSYLMETHIONINE))) ((HOMOCYSMET-RXN (HOMO-CYS) (MET)) (RXN-6301 (HOMO-CYS) (MET)) (RXN-7605 (S-ADENOSYLMETHIONINE) (ADENOSYL-HOMO-CYS)) (HOMOCYSMETB12-RXN (HOMO-CYS) (MET)) (ADENOSYLHOMOCYSTEINASE-RXN (ADENOSYL-HOMO-CYS) (HOMO-CYS)) (S-ADENMETSYN-RXN (MET) (S-ADENOSYLMETHIONINE)))
PWY-5441 S-methylmethionine cycle PRIMARIES ((MMUM-RXN (CPD-397) (MET)) (METHIONINE-S-METHYLTRANSFERASE-RXN (MET) (CPD-397))) ((MMUM-RXN (CPD-397) (MET)) (METHIONINE-S-METHYLTRANSFERASE-RXN (MET) (CPD-397)) (HOMOCYSTEINE-S-METHYLTRANSFERASE-RXN (HOMO-CYS) (MET)))
ASPARAGINE-BIOSYNTHESIS asparagine biosynthesis I PRIMARIES NIL (ASPAMINOTRANS-RXN (OXALACETIC_ACID) (L-ASPARTATE))
GLUGLNSYN-PWY glutamate biosynthesis IV PRIMARIES ((GLUTAMATE-SYNTHASE-NADH-RXN (GLN) (GLT))) ((GLUTAMATE-SYNTHASE-NADH-RXN (GLN) (GLT)) (GLUTAMATESYN-RXN (GLN) (GLT)))
TRPSYN-PWY tryptophan biosynthesis PRIMARIES ((RXN0-2382 (INDOLE SER) (TRP))) ((ANTHRANSYN-RXN (CHORISMATE) (ANTHRANILATE)) (TRYPSYN-RXN NIL (TRP)))
PWY-3941 β-alanine biosynthesis II PRIMARIES ((2.6.1.18-RXN (MALONATE-S-ALD) (B-ALANINE)) (PROPIONATE--COA-LIGASE-RXN (PROPIONATE) (PROPIONYL-COA)) (RXN-6384 (3-HYDROXY-PROPIONYL-COA) (3-HYDROXY-PROPIONATE)) (RXN-6383 (ACRYLYL-COA) (3-HYDROXY-PROPIONYL-COA)) (PROPCOASYN-RXN (PROPIONYL-COA) (ACRYLYL-COA)) (3-HYDROXYPROPIONATE-DEHYDROGENASE-RXN (3-HYDROXY-PROPIONATE) (MALONATE-S-ALD))) ((2.6.1.18-RXN (MALONATE-S-ALD) (B-ALANINE)) (PROPIONATE--COA-LIGASE-RXN (PROPIONATE) (PROPIONYL-COA)) (RXN-6384 (3-HYDROXY-PROPIONYL-COA) (3-HYDROXY-PROPIONATE)) (RXN-6383 (ACRYLYL-COA) (3-HYDROXY-PROPIONYL-COA)) (PROPCOASYN-RXN (PROPIONYL-COA) (ACRYLYL-COA)) (3-HYDROXYPROPIONATE-DEHYDROGENASE-RXN (3-HYDROXY-PROPIONATE) (MALONATE-S-ALD)) (SPERMIDINE-DEHYDROGENASE-RXN (SPERMIDINE) (CPD-313)) (RXN-6381 (CPD-313) (CPD-6082)) (RXN-6382 (CPD-6082) (B-ALANINE)) (BETA-UREIDOPROPIONASE-RXN (3-UREIDO-PROPIONATE) (B-ALANINE)) (DIHYDROPYRIMIDINASE-RXN (DI-H-URACIL) (3-UREIDO-PROPIONATE)) (1.3.1.2-RXN (URACIL) (DI-H-URACIL)))
PWY-5905 hypusine biosynthesis PRIMARIES ((DEOXYHYPUSINE-MONOOXYGENASE-RXN (CPD-9973) (CPD-9974)) (2.5.1.46-RXN (EIF5A-LYSINE) (EIF5A-HYPUSINE))) ((DEOXYHYPUSINE-MONOOXYGENASE-RXN (CPD-9973) (CPD-9974)) (2.5.1.46-RXN (EIF5A-LYSINE) (EIF5A-DEOXYHYPUSINE)))
PWY-5912 2'-deoxymugineic acid phytosiderophore biosynthesis PRIMARIES ((S-ADENMETSYN-RXN (MET) NIL) (1.1.1.285-RXN (CPD-7228) (CPD-7227))) ((1.1.1.285-RXN (CPD-7228) (CPD-7227)))
PWY-5686 uridine-5'-phosphate biosynthesis PRIMARIES ((OROPRIBTRANS-RXN (PRPP OROTATE) NIL)) ((CARBPSYN-RXN (GLN HCO3) (GLT CARBAMOYL-P)) (DIHYDROOROTATE-DEHYDROGENASE-RXN (DI-H-OROTATE) (OROTATE)))
PREDECESSORS ((OROPRIBTRANS-RXN RXN0-6491) (RXN0-6491 DIHYDROOROT-RXN) (OROTPDECARB-RXN OROPRIBTRANS-RXN) (DIHYDROOROT-RXN ASPCARBTRANS-RXN) (ASPCARBTRANS-RXN CARBPSYN-RXN) (CARBPSYN-RXN)) ((ASPCARBTRANS-RXN CARBPSYN-RXN) (OROPRIBTRANS-RXN DIHYDROOROTATE-DEHYDROGENASE-RXN) (DIHYDROOROTATE-DEHYDROGENASE-RXN DIHYDROOROT-RXN) (OROTPDECARB-RXN OROPRIBTRANS-RXN) (DIHYDROOROT-RXN ASPCARBTRANS-RXN))
REACTION-LIST (RXN0-6491 OROTPDECARB-RXN OROPRIBTRANS-RXN DIHYDROOROT-RXN ASPCARBTRANS-RXN CARBPSYN-RXN) (CARBPSYN-RXN DIHYDROOROTATE-DEHYDROGENASE-RXN OROTPDECARB-RXN OROPRIBTRANS-RXN DIHYDROOROT-RXN ASPCARBTRANS-RXN)
PWY-5687 pyrimidine ribonucleotides interconversion LAYOUT-ADVICE NIL (CYCLE-TOP-CPD . UMP)
PRIMARIES NIL ((RXN-12196 (UTP) (UDP)) (UDPKIN-RXN (UDP) (UTP)) (RXN-12197 (UDP) (UMP)) (2.7.4.22-RXN (UMP) (UDP)) (RXN-12200 (CTP) (CMP)) (RXN-12199 (UTP) (UMP)) (RXN-12198 (CDP) (CMP)) (RXN-12195 (CTP) (CDP)) (CMPKI-RXN (CMP) (CDP)) (CDPKIN-RXN (CTP) (CDP)) (CTPSYN-RXN (UTP) (CTP)) (RXN-12002 (UMP) (UDP)))
PREDECESSORS ((UDPKIN-RXN RXN-12002) (UDPKIN-RXN 2.7.4.22-RXN) (CTPSYN-RXN UDPKIN-RXN) (CDPKIN-RXN CTPSYN-RXN)) ((RXN-12199 UDPKIN-RXN) (2.7.4.22-RXN RXN-12199) (CMPKI-RXN RXN-12200) (RXN-12200 CTPSYN-RXN) (2.7.4.22-RXN RXN-12197) (RXN-12197 2.7.4.22-RXN) (UDPKIN-RXN RXN-12196) (RXN-12196 UDPKIN-RXN) (RXN-12198 RXN-12195) (RXN-12195 CTPSYN-RXN) (RXN-12198 CMPKI-RXN) (CMPKI-RXN RXN-12198) (RXN-12198 CDPKIN-RXN) (UDPKIN-RXN 2.7.4.22-RXN) (CTPSYN-RXN UDPKIN-RXN) (CDPKIN-RXN CTPSYN-RXN))
REACTION-LIST (RXN-12002 2.7.4.22-RXN CDPKIN-RXN CTPSYN-RXN UDPKIN-RXN) (RXN-12002 CMPKI-RXN RXN-12195 RXN-12196 RXN-12197 RXN-12198 RXN-12199 RXN-12200 2.7.4.22-RXN CDPKIN-RXN CTPSYN-RXN UDPKIN-RXN)
PWY-581 IAA biosynthesis I PRIMARIES ((RXN-10139 (TRP) (INDOLE_PYRUVATE)) (RXN-12063 (CPD-13027) (INDOLE-3-ACETALDOXIME)) (RXN-12062 (CPD-13026) (CPD-13027)) (RXN-12061 (TRP) (CPD-13026)) (RXN-1408 (INDOLE) (INDOLE_ACETATE_AUXIN)) (RXN0-2381 (INDOLE-3-GLYCEROL-P) (INDOLE)) (RXN-1403 (INDOLE-3-ACETALDOXIME) (INDOLEYL-CPD)) (RXN-1406 (N-HYDROXYL-TRYPTAMINE) (INDOLE-3-ACETALDOXIME)) (RXN-1405 (TRYPTAMINE) (N-HYDROXYL-TRYPTAMINE)) (RXN-1404 (INDOLEYL-CPD) (INDOLE_ACETATE_AUXIN)) (AROMATIC-L-AMINO-ACID-DECARBOXYLASE-RXN (TRP) (TRYPTAMINE)) (RXN-1402 (TRP) (INDOLE-3-ACETALDOXIME)) (INDOLE-3-ACETALDEHYDE-OXIDASE-RXN (INDOLE_ACETALDEHYDE) (INDOLE_ACETATE_AUXIN)) (RXN-1401 (TRYPTAMINE) (INDOLE_ACETALDEHYDE)) (4.1.1.74-RXN (INDOLE_PYRUVATE) (INDOLE_ACETALDEHYDE))) ((RXN-10139 (TRP) (INDOLE_PYRUVATE)) (RXN-1408 (INDOLE) (INDOLE_ACETATE_AUXIN)) (RXN-1407 (INDOLE-3-GLYCEROL-P) (INDOLE)) (RXN-1403 (INDOLE-3-ACETALDOXIME) (INDOLEYL-CPD)) (RXN-1406 (N-HYDROXYL-TRYPTAMINE) (INDOLE-3-ACETALDOXIME)) (RXN-1405 (TRYPTAMINE) (N-HYDROXYL-TRYPTAMINE)) (RXN-1404 (INDOLEYL-CPD) (INDOLE_ACETATE_AUXIN)) (AROMATIC-L-AMINO-ACID-DECARBOXYLASE-RXN (TRP) (TRYPTAMINE)) (RXN-1402 (TRP) (INDOLE-3-ACETALDOXIME)) (TRYPTOPHAN-AMINOTRANSFERASE-RXN (TRP) (INDOLE_PYRUVATE)) (INDOLE-3-ACETALDEHYDE-OXIDASE-RXN (INDOLE_ACETALDEHYDE) (INDOLE_ACETATE_AUXIN)) (RXN-1401 (TRYPTAMINE) (INDOLE_ACETALDEHYDE)) (4.1.1.74-RXN (INDOLE_PYRUVATE) (INDOLE_ACETALDEHYDE)))
PREDECESSORS ((4.1.1.74-RXN TRYPTOPHAN-AMINOTRANSFERASE-RXN) (4.1.1.74-RXN RXN-10139) (RXN-12064 RXN-1406) (RXN-1403 RXN-12064) (RXN-12064 RXN-12063) (RXN-12063 RXN-1406) (RXN-1406 RXN-12063) (RXN-12063 RXN-12062) (RXN-12062 RXN-12061) (RXN-7567 RXN-1403) (RXNN-404 RXN-7567) (RXN-1408 RXN0-2381) (RXN-1405 AROMATIC-L-AMINO-ACID-DECARBOXYLASE-RXN) (RXN-1403 RXN-1406) (RXN-1406 RXN-1405) (INDOLE-3-ACETALDEHYDE-OXIDASE-RXN 4.1.1.74-RXN) (RXN-1404 RXN-1403)) ((RXN-7567 RXN-1403) (RXNN-404 RXN-7567) (4.1.1.74-RXN RXN-10139) (TRYPTOPHAN-AMINOTRANSFERASE-RXN RXN-10139) (AROMATIC-L-AMINO-ACID-DECARBOXYLASE-RXN RXN-10139) (RXN-1402 RXN-10139) (RXN-1408 RXN-1407) (RXN-1405 AROMATIC-L-AMINO-ACID-DECARBOXYLASE-RXN) (RXN-1403 RXN-1406) (RXN-1406 RXN-1405) (INDOLE-3-ACETALDEHYDE-OXIDASE-RXN 4.1.1.74-RXN) (INDOLE-3-ACETALDEHYDE-OXIDASE-RXN RXN-1401) (RXN-1403 RXN-1402) (RXN-1404 RXN-1403) (RXN-1401 AROMATIC-L-AMINO-ACID-DECARBOXYLASE-RXN) (4.1.1.74-RXN TRYPTOPHAN-AMINOTRANSFERASE-RXN))
REACTION-LIST (RXN-12064 RXN-12063 RXN-12062 RXN-12061 RXN0-2381 RXN-7567 RXNN-404 RXN-10139 RXN-1408 RXN-1406 RXN-1405 RXN-1404 RXN-1403 AROMATIC-L-AMINO-ACID-DECARBOXYLASE-RXN INDOLE-3-ACETALDEHYDE-OXIDASE-RXN 4.1.1.74-RXN TRYPTOPHAN-AMINOTRANSFERASE-RXN) (RXN-7567 RXNN-404 RXN-10139 RXN-1408 RXN-1407 RXN-1406 RXN-1405 RXN-1404 RXN-1403 RXN-1402 RXN-1401 AROMATIC-L-AMINO-ACID-DECARBOXYLASE-RXN INDOLE-3-ACETALDEHYDE-OXIDASE-RXN 4.1.1.74-RXN TRYPTOPHAN-AMINOTRANSFERASE-RXN)
PWY-2681 trans-zeatin biosynthesis REACTION-LIST (RXN-4307 RXN-4305 RXN-4303 RXN-4317 RXN-4313 RXN-4314 RXN-4308 RXN-4312 RXN-4306 RXN-4310 RXN-4304) (RXN-4315 RXN-4318 RXN-4309 RXN-4311 RXN-4307 RXN-4305 RXN-4303 RXN-4317 RXN-4313 RXN-4314 RXN-4308 RXN-4312 RXN-4306 RXN-4310 RXN-4304)
PWY-4661 1D-myo-inositol hexakisphosphate biosynthesis III (Spirodela polyrrhiza) PRIMARIES ((MYO-INOSITOL-1-KINASE-RXN (MYO-INOSITOL) (1-L-MYO-INOSITOL-1-P)) (RXN-7202 (1-L-MYO-INOSITOL-1-P) (D-MYO-INOSITOL-34-BISPHOSPHATE)) (RXN-7163 (CPD-1107) (MI-HEXAKISPHOSPHATE)) (2.7.1.134-RXN (CPD-178) (CPD-1107)) (RXN-7204 (CPD-6681) (CPD-178)) (RXN-7203 (D-MYO-INOSITOL-34-BISPHOSPHATE) (CPD-6681))) NIL
PREDECESSORS ((RXN-7202 MYO-INOSITOL-1-PHOSPHATE-SYNTHASE-RXN) (RXN-7202 MYO-INOSITOL-1-KINASE-RXN) (MYO-INOSITOL-1-KINASE-RXN) (RXN-7163 2.7.1.134-RXN) (2.7.1.134-RXN RXN-7204) (RXN-7204 RXN-7203) (RXN-7203 RXN-7202)) ((RXN-7202 MYO-INOSITOL-1-KINASE-RXN) (MYO-INOSITOL-1-KINASE-RXN) (RXN-7163 2.7.1.134-RXN) (2.7.1.134-RXN RXN-7204) (RXN-7204 RXN-7203) (RXN-7203 RXN-7202) (MYO-INOSITOL-1-PHOSPHATE-SYNTHASE-RXN) (RXN-7202 MYO-INOSITOL-1-PHOSPHATE-SYNTHASE-RXN))
PWY1F-823 leucopelargonidin and leucocyanidin biosynthesis PRIMARIES ((RXN-525 (DIHYDROKAEMPFEROL-CMPD) (CPD-474)) (DIHYDROKAEMPFEROL-4-REDUCTASE-RXN (DIHYDROKAEMPFEROL-CMPD) (LEUCOPELARGONIDIN-CMPD)) (RXN-7775 (CPD-6994) (CPD-474))) ((RXN-525 (DIHYDROKAEMPFEROL-CMPD) (CPD-474)) (RXN-7782 (DIHYDROKAEMPFEROL-CMPD) (CPD-7087)) (DIHYDROKAEMPFEROL-4-REDUCTASE-RXN (DIHYDROKAEMPFEROL-CMPD) (LEUCOPELARGONIDIN-CMPD)) (RXN-7784 (CPD-7087) (CPD-7088)) (RXN-7783 (CPD-474) (CPD-7087)) (LEUCPEL-RXN (LEUCOPELARGONIDIN-CMPD) NIL) (RXN-7775 (CPD-6994) (CPD-474)) (NARINGENIN-3-DIOXYGENASE-RXN (NARINGENIN-CMPD) (DIHYDROKAEMPFEROL-CMPD)) (RXN1F-775 (CPD-591) (CPD1F-766)) (PELUDP-RXN NIL (PELARGONIDIN-3-GLUCOSIDE-CMPD)))
PWY-5391 syringetin biosynthesis PRIMARIES ((RXN-8452 (CPD-8605) (SYRINGETIN)) (RXN-8451 (MYRICETIN) (CPD-8605)) (RXN-8450 (CPD-7087) (MYRICETIN)) (RXN-7782 (DIHYDROKAEMPFEROL-CMPD) (CPD-7087))) ((RXN-8452 (CPD-8605) (SYRINGETIN)) (RXN-8451 (MYRICETIN) (CPD-8605)) (RXN-8450 (CPD-7087) (MYRICETIN)) (RXN-525 (DIHYDROKAEMPFEROL-CMPD) (CPD-474)) (RXN-7782 (DIHYDROKAEMPFEROL-CMPD) (CPD-7087)))
PREDECESSORS ((RXN-7782) (RXN-8450 RXN-7782) (RXN-8451 RXN-8450) (RXN-8452 RXN-8451)) ((RXN-525) (RXN-7782) (RXN-8450 RXN-7782) (RXN-8451 RXN-8450) (RXN-8452 RXN-8451))
PWY-6029 2,3-trans-flavanols biosynthesis PRIMARIES ((RXN-9720 (CPD-7088) (CPD-10358)) (RXN-1481 (LEUCOPELARGONIDIN-CMPD) (CPD-1962)) (RXN-1484 (CPD-590) (CPD-1961))) NIL
PREDECESSORS ((RXN-1484) (RXN-9720) (RXN-1481)) NIL
PWY1F-FLAVSYN flavonoid biosynthesis PRIMARIES ((NARINGENIN-3-DIOXYGENASE-RXN (NARINGENIN-CMPD) (DIHYDROKAEMPFEROL-CMPD))) ((NARINGENIN-3-DIOXYGENASE-RXN (NARINGENIN-CMPD) (DIHYDROKAEMPFEROL-CMPD)) (RXN1F-461 (CPD1F-90) (CPD1F-453)) (RXN-1541 (NARINGENIN-CMPD) (CPD-3141)) (RXN1F-462 (CPD-520) (CPD1F-437)))
PWY-361 phenylpropanoid biosynthesis PREDECESSORS ((RXN-11654 RXN-1106) (CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN RXN-2622) (CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN RXN-2621) (RXN-1125 RXN-1143) (RXN-1143 RXN-1142) (RXN-1142 RXN-1106) (RXN-1106 CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN) (RXN-1101 4-COUMARATE--COA-LIGASE-RXN) (RXN-1102 RXN-1101) (RXN-2601 4-COUMARATE--COA-LIGASE-RXN) (1.14.13.36-RXN RXN-2601) (2.3.1.133-RXN 4-COUMARATE--COA-LIGASE-RXN) (RXN-2581 2.3.1.133-RXN) (RXN-2622 1.14.13.36-RXN) (RXN-2621 RXN-2581)) ((CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN RXN-2622) (CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN RXN-2621) (RXN-2602 RXN-1106) (RXN-1125 RXN-1143) (RXN-1143 RXN-1142) (RXN-1142 RXN-1106) (RXN-1106 CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN) (RXN-1101 4-COUMARATE--COA-LIGASE-RXN) (RXN-1102 RXN-1101) (RXN-2601 4-COUMARATE--COA-LIGASE-RXN) (1.14.13.36-RXN RXN-2601) (2.3.1.133-RXN 4-COUMARATE--COA-LIGASE-RXN) (RXN-2581 2.3.1.133-RXN) (RXN-2622 1.14.13.36-RXN) (RXN-2621 RXN-2581))
REACTION-LIST (RXN-11654 1.14.13.36-RXN RXN-2622 RXN-2621 2.3.1.133-RXN RXN-2601 RXN-2581 RXN-1143 RXN-1142 CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN RXN-1125 RXN-1102 RXN-1106 RXN-1101 4-COUMARATE--COA-LIGASE-RXN) (1.14.13.36-RXN RXN-2622 RXN-2621 RXN-2602 2.3.1.133-RXN RXN-2601 RXN-2581 RXN-1143 RXN-1142 CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN RXN-1125 RXN-1102 RXN-1106 RXN-1101 4-COUMARATE--COA-LIGASE-RXN)
PWY-83 monolignol glucosides biosynthesis PRIMARIES ((RXN-95 (CPD-94) (CPD-82)) (RXN-92 (SINAPALDEHYDE) (CPD-79)) (RXN-91 (CONIFERYL-ALDEHYDE) (CPD-81)) (RXN-90 (SINAPYL-ALCOHOL) (CPD-63))) ((RXN-95 (CPD-94) (CPD-82)) (RXN-92 (SINAPALDEHYDE) (CPD-79)) (RXN-91 (CONIFERYL-ALDEHYDE) (CPD-81)) (RXN-90 (SINAPYL-ALCOHOL) (CPD-63)) (2.4.1.111-RXN (CONIFERYL-ALCOHOL) (CPD-1777)))
PWY-5945 antheraxanthin and violaxanthin biosynthesis LAYOUT-ADVICE ((:BRANCH-ORDERING RXN-7984 RXN-7979)) ((:BRANCH-ORDERING RXN-7984 RXN-7979) (:CYCLE-TOP-CPD . CPD1F-130))
PRIMARIES NIL (RXN-7984 (CPD1F-133) (CPD1F-131))
PREDECESSORS ((RXN-7979 RXN-7978) (RXN-7984 RXN-7978) (RXN-7978 RXN-7985) (RXN-7985 RXN-7978)) ((RXN-7985 RXN-7984) (RXN-7979 RXN-7984) (RXN-7984 RXN-7979) (RXN-7979 RXN-7978) (RXN-7984 RXN-7978) (RXN-7978 RXN-7985) (RXN-7985 RXN-7978))
PWY-6299 aldehyde oxidation I PREDECESSORS ((RXN-8088) (ALDEHYDE-OXIDASE-RXN) (1.2.3.14-RXN)) NIL
PWY-695 abscisic acid biosynthesis PRIMARIES ((RXN-8074 (CPD1F-135) (CPD-7424)) (RXN-698 (CPD-7424) (CPD-7279)) (1.1.1.288-RXN (CPD-7279) (CPD-692))) ((RXN-8074 (CPD1F-135) (CPD-7424)))
PWY-5032 ent-kaurene biosynthesis I PRIMARIES ((4.2.3.19-RXN (ENT-COPALYL-DIPHOSPHATE) (CPD1F-128)) (5.5.1.13-RXN (GERANYLGERANYL-PP) (ENT-COPALYL-DIPHOSPHATE))) ((FARNESYLTRANSTRANSFERASE-RXN (DELTA3-ISOPENTENYL-PP FARNESYL-PP) (GERANYLGERANYL-PP)) (4.2.3.19-RXN (ENT-COPALYL-DIPHOSPHATE) (CPD1F-128)) (5.5.1.13-RXN (GERANYLGERANYL-PP) (ENT-COPALYL-DIPHOSPHATE)))
PWY-5035 gibberellin biosynthesis III (early C-13 hydroxylation) PRIMARIES ((RXN-6524 (CPD-10332) (CPD-6203)) (RXN1F-101 (CPD1F-96) (CPD1F-86)) (RXN1F-170 (CPD1F-140) (CPD1F-139)) (RXN1F-169 (CPD1F-96) (CPD1F-140)) (RXN1F-167 (CPD-695) (CPD-638)) (RXN1F-143 (CPD1F-95) (CPD-695))) ((RXN-6524 (CPD-10332) (CPD-6203)) (RXN-6547 (CPD-6225) (CPD-6226)) (RXN-6546 (CPD1F-86) (CPD-6225)) (RXN1F-101 (CPD1F-96) (CPD1F-86)) (RXN1F-170 (CPD1F-140) (CPD1F-139)) (RXN1F-169 (CPD1F-96) (CPD1F-140)) (RXN1F-167 (CPD-695) (CPD-638)) (RXN1F-143 (CPD1F-95) (CPD-695)))
PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis PREDECESSORS ((RXN-11852 RXN-1347) (RXN-1349 HYDROHEX-RXN) (HYDROHEX-RXN LIPOXYGENASE-RXN) (RXN-1345 RXN-1321) (RXN-1347 RXN-1345) (RXN-1349 RXN-1345)) ((RXN-1349 HYDROHEX-RXN) (HYDROHEX-RXN LIPOXYGENASE-RXN) (RXN-1345 RXN-1321) (RXN-1346 RXN-1345) (RXN-1348 RXN-1346) (RXN-1347 RXN-1345) (RXN-1349 RXN-1345))
REACTION-LIST (RXN-11852 RXN-1349 RXN-1347 RXN-1345 RXN-1321 HYDROHEX-RXN LIPOXYGENASE-RXN) (RXN-1349 RXN-1348 RXN-1347 RXN-1346 RXN-1345 RXN-1321 HYDROHEX-RXN LIPOXYGENASE-RXN)
PWY-6316 aromatic polyketides biosynthesis PRIMARIES ((RXN-7822 (P-COUMAROYL-COA) (CPD-6955)) (NARINGENIN-CHALCONE-SYNTHASE-RXN (P-COUMAROYL-COA) (APIGENIN))) ((RXN-7578 (CPD-6954) (CPD-6955)) (RXN-7822 (P-COUMAROYL-COA) (CPD-6955)) (NARINGENIN-CHALCONE-SYNTHASE-RXN (P-COUMAROYL-COA) (APIGENIN)))
MANNOSYL-CHITO-DOLICHOL-BIOSYNTHESIS dolichyl-diphosphooligosaccharide biosynthesis PREDECESSORS ((RXN-5466 RXN-5464) (RXN-5471 RXN-5470) (RXN-5469 RXN-5468) (RXN-5467 RXN-5466) (RXN-5463 RXN-5462) (RXN-5462 2.4.1.142-RXN) (2.4.1.141-RXN 2.7.8.15-RXN) (2.4.1.142-RXN 2.4.1.141-RXN) (RXN-5464 RXN-5463) (RXN-5468 RXN-5467) (RXN-5470 RXN-5469) (RXN-5472 RXN-5471)) ((RXN-5471 RXN-5470) (RXN-5469 RXN-5468) (RXN-5467 RXN-5466) (RXN-5465 RXN-5464) (RXN-5463 RXN-5462) (RXN-5462 2.4.1.142-RXN) (2.4.1.141-RXN 2.7.8.15-RXN) (2.4.1.142-RXN 2.4.1.141-RXN) (RXN-5464 RXN-5463) (RXN-5466 RXN-5465) (RXN-5468 RXN-5467) (RXN-5470 RXN-5469) (RXN-5472 RXN-5471))
REACTION-LIST (2.4.1.117-RXN 2.4.1.83-RXN RXN-5472 RXN-5471 RXN-5470 RXN-5469 RXN-5468 RXN-5467 RXN-5466 RXN-5464 RXN-5462 RXN-5463 2.4.1.142-RXN 2.4.1.141-RXN 2.7.8.15-RXN) (2.4.1.117-RXN 2.4.1.83-RXN RXN-5472 RXN-5471 RXN-5470 RXN-5469 RXN-5468 RXN-5467 RXN-5466 RXN-5465 RXN-5464 RXN-5462 RXN-5463 2.4.1.142-RXN 2.4.1.141-RXN 2.7.8.15-RXN)
PWY-3261 UDP-L-rhamnose biosynthesis PRIMARIES NIL (RXN-5482 (UDP-GLUCOSE) (UDP-L-RHAMNOSE))
PWY-82 UDP-L-arabinose biosynthesis II (from L-arabinose) PRIMARIES ((L-ARABINOKINASE-RXN (L-ARABINOSE) (CPD-1825)) (RXN-7401 (CPD-1825) (UDP-L-ARABINOSE))) ((L-ARABINOKINASE-RXN (L-ARABINOSE) (CPD-1825)) (RXN-7401 (CPD-1825) (UDP-L-ARABINOSE)) (RXN-7381 (CPD-1825) (UDP-L-ARABINOSE)))
PWY-4861 UDP-D-galacturonate biosynthesis I (from UDP-D-glucuronate) PREDECESSORS NIL (UDP-GLUCURONATE-4-EPIMERASE-RXN)
PWY-1061 homogalacturonan biosynthesis PRIMARIES ((RXN-2081 (|1-4-alpha-D-galacturonosyl|) (|Methylesterified-homogalacturonan|))) ((RXN-2081 (|1-4-alpha-D-galacturonosyl|) (|Methylesterified-homogalacturonan|)) (UDP-GLUCURONATE-4-EPIMERASE-RXN (UDP-GLUCURONATE) (UDP-D-GALACTURONATE)))
SUCSYN-PWY sucrose biosynthesis PRIMARIES ((SUCROSE-SYNTHASE-RXN NIL (SUCROSE))) ((PHOSPHOGLUCMUT-RXN (ALPHA-GLC-6-P) (GLC-1-P)) (GLUCOSE-6-PHOSPHATE-1-EPIMERASE-RXN (ALPHA-GLC-6-P) (GLC-6-P)))
CALVIN-PWY Calvin-Benson-Bassham cycle PRIMARIES ((RIBULOSE-BISPHOSPHATE-CARBOXYLASE-RXN (D-RIBULOSE-15-P2 CARBON-DIOXIDE) NIL) (RIB5PISOM-RXN (RIBOSE-5P) NIL) (2TRANSKETO-RXN (FRUCTOSE-6P) (XYLULOSE-5-PHOSPHATE)) (RIBULP3EPIM-RXN (XYLULOSE-5-PHOSPHATE) (RIBULOSE-5P)) (1TRANSKETO-RXN (D-SEDOHEPTULOSE-7-P) (RIBOSE-5P XYLULOSE-5-PHOSPHATE)) (F16ALDOLASE-RXN NIL (FRUCTOSE-16-DIPHOSPHATE)) (TRIOSEPISOMERIZATION-RXN (GAP) NIL) (1.2.1.13-RXN (DPG) (GAP)) (PHOSGLYPHOS-RXN (G3P) (DPG))) ((RIB5PISOM-RXN (RIBOSE-5P) NIL) (2TRANSKETO-RXN (FRUCTOSE-6P) (XYLULOSE-5-PHOSPHATE)) (RIBULP3EPIM-RXN (XYLULOSE-5-PHOSPHATE) (RIBULOSE-5P)) (1TRANSKETO-RXN (D-SEDOHEPTULOSE-7-P) (RIBOSE-5P XYLULOSE-5-PHOSPHATE)) (F16ALDOLASE-RXN NIL (FRUCTOSE-16-DIPHOSPHATE)) (TRIOSEPISOMERIZATION-RXN (GAP) NIL) (1.2.1.13-RXN (DPG) (GAP)) (PHOSGLYPHOS-RXN (G3P) (DPG)))
PWY-1001 cellulose biosynthesis POLYMERIZATION-LINKS NIL (1-4-beta-D-Glucan CELLULOSE-SYNTHASE-UDP-FORMING-RXN CELLULOSE-SYNTHASE-UDP-FORMING-RXN)
PRIMARIES (CELLULOSE-SYNTHASE-UDP-FORMING-RXN (CELLULOSE) (CELLULOSE)) (CELLULOSE-SYNTHASE-UDP-FORMING-RXN (1-4-beta-D-Glucan) (1-4-beta-D-Glucan))
PWY-6330 acetaldehyde biosynthesis II PREDECESSORS (RXN-6161) NIL
PWY-5670 epoxysqualene biosynthesis PRIMARIES NIL ((RXN-8352 (CPD-8134) (CPD-4161)) (RXN-8353 (CPD-4141) (CPD-8134)) (2.1.1.143-RXN (CPD-4101) (CPD-4124)))
PWY-5871 ubiquinol-9 biosynthesis (eukaryotic) PRIMARIES NIL ((RXN-9347 (CPD-9957) (UBIQUINONE-9)) (2.5.1.39-RXN (SOLANESYL-PYROPHOSPHATE |4-hydroxybenzoate|) (NONAPRENYL-4-HYDROXYBENZOATE)))
PREDECESSORS ((RXN-9241 RXN-9284) (RXN-9284 RXN-9281) (RXN-9281 RXN-9278) (RXN-9278 2.5.1.39-RXN) (2.1.1.64-RXN RXN-9243) (RXN-9243 RXN-9242) (RXN-9242 RXN-9241)) ((RXN-9347 2.1.1.64-RXN) (RXN-9241 RXN-9284) (RXN-9284 RXN-9281) (RXN-9281 RXN-9278) (RXN-9278 2.5.1.39-RXN) (2.1.1.64-RXN RXN-9243) (RXN-9243 RXN-9242) (RXN-9242 RXN-9241))
REACTION-LIST (RXN-9284 RXN-9281 RXN-9278 RXN-9243 RXN-9242 2.1.1.64-RXN RXN-9241 2.5.1.39-RXN) (RXN-9347 RXN-9284 RXN-9281 RXN-9278 RXN-9243 RXN-9242 2.1.1.64-RXN RXN-9241 2.5.1.39-RXN)
THIOREDOX-PWY thioredoxin pathway LAYOUT-ADVICE (CYCLE-TOP-CPD . Ox-Thioredoxin) NIL
PRIMARIES (THIOREDOXIN-REDUCT-NADPH-RXN (Ox-Thioredoxin) (Red-Thioredoxin)) (THIOREDOXIN-REDUCT-NADPH-RXN (Ox-Thioredoxin) NIL)
PWY-3841 folate transformations II (plants) LAYOUT-ADVICE (CYCLE-TOP-CPD . DIHYDROFOLATE) NIL
PRIMARIES ((HOMOCYSMETB12-RXN (5-METHYL-THF) (THF)) (RXN-6321 (5-10-METHENYL-THF) (5-FORMYL-THF)) (5-FORMYL-THF-CYCLO-LIGASE-RXN (5-FORMYL-THF) (5-10-METHENYL-THF)) (FORMATETHFLIG-RXN (THF) (THF)) (THYMIDYLATESYN-RXN (METHYLENE-THF) (DIHYDROFOLATE)) (1.5.1.20-RXN (METHYLENE-THF) (5-METHYL-THF)) (METHENYLTHFCYCLOHYDRO-RXN (5-10-METHENYL-THF) (10-FORMYL-THF)) (METHYLENETHFDEHYDROG-NADP-RXN (METHYLENE-THF) (5-10-METHENYL-THF)) (GLYOHMETRANS-RXN (THF) (METHYLENE-THF)) (GCVMULTI-RXN (THF) (METHYLENE-THF)) (DIHYDROFOLATESYNTH-RXN (7-8-DIHYDROPTEROATE) (DIHYDROFOLATE)) (DIHYDROFOLATEREDUCT-RXN (DIHYDROFOLATE) (THF))) ((HOMOCYSMETB12-RXN (HOMO-CYS 5-METHYL-THF) (THF)) (HOMOCYSMET-RXN (CPD-1302) (CPD-1301)) (RXN-6321 (5-10-METHENYL-THF) (5-FORMYL-THF)) (5-FORMYL-THF-CYCLO-LIGASE-RXN (5-FORMYL-THF) (5-10-METHENYL-THF)) (FORMATETHFLIG-RXN (THF) (THF)) (RXN-6301 (5-METHYL-THF) (THF)) (FORMYLTHFGLUSYNTH-RXN (FORMYL-THF-GLU-N) (FORMYL-THF-GLU-N)) (THYMIDYLATESYN-RXN (METHYLENE-THF) (DIHYDROFOLATE)) (1.5.1.20-RXN (METHYLENE-THF) (5-METHYL-THF)) (METHENYLTHFCYCLOHYDRO-RXN (5-10-METHENYL-THF) (10-FORMYL-THF)) (METHYLENETHFDEHYDROG-NADP-RXN (METHYLENE-THF) (5-10-METHENYL-THF)) (GLYOHMETRANS-RXN (THF) (METHYLENE-THF)) (GCVMULTI-RXN (THF) (METHYLENE-THF)) (DIHYDROFOLATESYNTH-RXN (7-8-DIHYDROPTEROATE) (DIHYDROFOLATE)) (DIHYDROFOLATEREDUCT-RXN (DIHYDROFOLATE) (THF)))
PREDECESSORS ((5-FORMYL-THF-CYCLO-LIGASE-RXN RXN-6321) (METHENYLTHFCYCLOHYDRO-RXN 5-FORMYL-THF-CYCLO-LIGASE-RXN) (METHENYLTHFCYCLOHYDRO-RXN METHYLENETHFDEHYDROG-NADP-RXN) (METHYLENETHFDEHYDROG-NADP-RXN GLYOHMETRANS-RXN) (METHYLENETHFDEHYDROG-NADP-RXN GCVMULTI-RXN) (GLYOHMETRANS-RXN DIHYDROFOLATEREDUCT-RXN) (GCVMULTI-RXN DIHYDROFOLATEREDUCT-RXN) (1.5.1.20-RXN GCVMULTI-RXN) (1.5.1.20-RXN GLYOHMETRANS-RXN) (THYMIDYLATESYN-RXN GCVMULTI-RXN) (THYMIDYLATESYN-RXN GLYOHMETRANS-RXN) (DIHYDROFOLATEREDUCT-RXN THYMIDYLATESYN-RXN) (RXN-6321 METHYLENETHFDEHYDROG-NADP-RXN) (RXN-6321 5-FORMYL-THF-CYCLO-LIGASE-RXN) (HOMOCYSMETB12-RXN 1.5.1.20-RXN) (FORMATETHFLIG-RXN HOMOCYSMETB12-RXN) (GCVMULTI-RXN HOMOCYSMETB12-RXN) (GLYOHMETRANS-RXN HOMOCYSMETB12-RXN)) ((5-FORMYL-THF-CYCLO-LIGASE-RXN RXN-6321) (METHENYLTHFCYCLOHYDRO-RXN 5-FORMYL-THF-CYCLO-LIGASE-RXN) (FORMYLTHFGLUSYNTH-RXN FORMATETHFLIG-RXN) (FOLYLPOLYGLUTAMATESYNTH-RXN DIHYDROFOLATEREDUCT-RXN) (FORMYLTHFGLUSYNTH-RXN METHENYLTHFCYCLOHYDRO-RXN) (METHENYLTHFCYCLOHYDRO-RXN METHYLENETHFDEHYDROG-NADP-RXN) (METHYLENETHFDEHYDROG-NADP-RXN GLYOHMETRANS-RXN) (METHYLENETHFDEHYDROG-NADP-RXN GCVMULTI-RXN) (GLYOHMETRANS-RXN DIHYDROFOLATEREDUCT-RXN) (GCVMULTI-RXN DIHYDROFOLATEREDUCT-RXN) (DIHYDROFOLATEREDUCT-RXN DIHYDROFOLATESYNTH-RXN) (1.5.1.20-RXN GCVMULTI-RXN) (1.5.1.20-RXN GLYOHMETRANS-RXN) (THYMIDYLATESYN-RXN GCVMULTI-RXN) (THYMIDYLATESYN-RXN GLYOHMETRANS-RXN) (DIHYDROFOLATEREDUCT-RXN THYMIDYLATESYN-RXN) (RXN-6321 METHYLENETHFDEHYDROG-NADP-RXN) (RXN-6321 5-FORMYL-THF-CYCLO-LIGASE-RXN) (HOMOCYSMETB12-RXN 1.5.1.20-RXN) (FORMATETHFLIG-RXN HOMOCYSMETB12-RXN) (GCVMULTI-RXN HOMOCYSMETB12-RXN) (GLYOHMETRANS-RXN HOMOCYSMETB12-RXN))
REACTION-LIST (HOMOCYSMETB12-RXN RXN-6321 5-FORMYL-THF-CYCLO-LIGASE-RXN THYMIDYLATESYN-RXN 1.5.1.20-RXN FORMATETHFLIG-RXN METHENYLTHFCYCLOHYDRO-RXN METHYLENETHFDEHYDROG-NADP-RXN GCVMULTI-RXN GLYOHMETRANS-RXN DIHYDROFOLATEREDUCT-RXN) (HOMOCYSMETB12-RXN RXN-6321 5-FORMYL-THF-CYCLO-LIGASE-RXN THYMIDYLATESYN-RXN 1.5.1.20-RXN FORMATETHFLIG-RXN FORMYLTHFGLUSYNTH-RXN METHENYLTHFCYCLOHYDRO-RXN METHYLENETHFDEHYDROG-NADP-RXN GCVMULTI-RXN GLYOHMETRANS-RXN FOLYLPOLYGLUTAMATESYNTH-RXN DIHYDROFOLATEREDUCT-RXN DIHYDROFOLATESYNTH-RXN)
PWY-2161 folate polyglutamylation PRIMARIES ((FORMATETHFLIG-RXN (THF) (10-FORMYL-THF)) (GLYOHMETRANS-RXN (THF) (METHYLENE-THF))) ((GLYOHMETRANS-RXN (METHYLENE-THF) NIL))
PREDECESSORS ((FOLYLPOLYGLUTAMATESYNTH-RXN) (RXN0-2921 GLYOHMETRANS-RXN) (FORMYLTHFGLUSYNTH-RXN FORMATETHFLIG-RXN) (FORMATETHFLIG-RXN GLYOHMETRANS-RXN) (GLYOHMETRANS-RXN)) ((FOLYLPOLYGLUTAMATESYNTH-RXN GLYOHMETRANS-RXN) (RXN0-2921 GLYOHMETRANS-RXN) (FORMATETHFLIG-RXN GLYOHMETRANS-RXN) (FORMYLTHFGLUSYNTH-RXN FORMATETHFLIG-RXN))
PWY-882 ascorbate biosynthesis I (L-galactose pathway) PRIMARIES ((MANNPISOM-RXN (FRUCTOSE-6P) (MANNOSE-6P)) (2.7.7.13-RXN (MANNOSE-1P) (GDP-MANNOSE)) (RXNQT-4141 (GDP-L-GALACTOSE) (CPDQT-4)) (RXN-1884 (L-GALACTOSE) (CPD-330)) (GALACTONOLACTONE-DEHYDROGENASE-RXN (CPD-330) (ASCORBATE)) (RXN-1882 (GDP-MANNOSE) (GDP-L-GALACTOSE)) (PHOSMANMUT-RXN (MANNOSE-6P) (MANNOSE-1P))) ((MANNPISOM-RXN (FRUCTOSE-6P) (MANNOSE-6P)) (2.7.7.13-RXN (MANNOSE-1P) (GDP-MANNOSE)) (RXNQT-4141 (GDP-L-GALACTOSE) (CPDQT-4)) (RXN-7772 (CPD-7078) (GDP-L-GALACTOSE)) (RXN-7771 (GDP-MANNOSE) (CPD-7078)) (RXN-1884 (L-GALACTOSE) (CPD-330)) (RXN-1883 (GDP-L-GALACTOSE) (L-GALACTOSE)) (GALACTONOLACTONE-DEHYDROGENASE-RXN (CPD-330) (ASCORBATE)) (RXN-1882 (GDP-MANNOSE) (GDP-L-GALACTOSE)) (RXN-1881 (MANNOSE-1P) (GDP-MANNOSE)) (PHOSMANMUT-RXN (MANNOSE-6P) (MANNOSE-1P)) (PGLUCISOM-RXN (GLC-6-P) (FRUCTOSE-6P)))
PWY-1422 vitamin E biosynthesis PRIMARIES (RXN-2541 (PHYTYL-PYROPHOSPHATE HOMOGENTISATE) NIL) NIL
PWY0-501 lipoate biosynthesis and incorporation I PRIMARIES ((RXN0-947 (|Octanoyl-ACPs|) NIL) (RXN0-949 (|Octanoylated-domains|) (|Lipoylated-domains|))) ((RXN0-949 (|Octanoylated-domains|) (|Lipoylated-domains|)) (RXN-5741 (CPD-195) (OCTANOYL-ACP)))
PREDECESSORS ((RXN0-949 RXN0-947)) ((RXN0-947 RXN-5741) (RXN0-949 RXN0-947))
REACTION-LIST (RXN0-947 RXN0-949) (RXN-5741 RXN0-947 RXN0-949)
COA-PWY coenzyme A biosynthesis PRIMARIES (P-PANTOCYSLIG-RXN (4-P-PANTOTHENATE) NIL) NIL
PREDECESSORS ((P-PANTOCYSDECARB-RXN P-PANTOCYSLIG-RXN) (PANTEPADENYLYLTRAN-RXN P-PANTOCYSDECARB-RXN) (DEPHOSPHOCOAKIN-RXN PANTEPADENYLYLTRAN-RXN)) ((P-PANTOCYSLIG-RXN PANTOTHENATE-KIN-RXN) (P-PANTOCYSDECARB-RXN P-PANTOCYSLIG-RXN) (PANTEPADENYLYLTRAN-RXN P-PANTOCYSDECARB-RXN) (DEPHOSPHOCOAKIN-RXN PANTEPADENYLYLTRAN-RXN))
REACTION-LIST (P-PANTOCYSLIG-RXN P-PANTOCYSDECARB-RXN DEPHOSPHOCOAKIN-RXN PANTEPADENYLYLTRAN-RXN) (PANTOTHENATE-KIN-RXN P-PANTOCYSLIG-RXN P-PANTOCYSDECARB-RXN DEPHOSPHOCOAKIN-RXN PANTEPADENYLYLTRAN-RXN)
HEME-BIOSYNTHESIS-II heme biosynthesis from uroporphyrinogen-III I PRIMARIES NIL (GLURS-RXN NIL (GLT-tRNAs))
PWY-5064 chlorophyll a biosynthesis II PRIMARIES ((RXN-7666 (CPD-7006) (CHLOROPHYLL-A)) (RXN-7665 (CPD-7004) (CPD-7006)) (RXN-7664 (CPD-7005) (CPD-7004)) (RXN-7663 (CHLOROPHYLLIDE-A) (CPD-7005))) ((RXN1F-88 (CHLOROPHYLL-A) (CHLOROPHYLL-B)) (RXN-7666 (CPD-7006) (CHLOROPHYLL-A)) (RXN-7665 (CPD-7004) (CPD-7006)) (RXN-7664 (CPD-7005) (CPD-7004)) (RXN-7663 (CHLOROPHYLLIDE-A) (CPD-7005)))
CHLOROPHYLL-SYN chlorophyllide a biosynthesis I PRIMARIES ((UROGENDECARBOX-RXN (UROPORPHYRINOGEN-III) (COPROPORPHYRINOGEN_III)) (RXN-5284 (131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M) (DIVINYL-PROTOCHLOROPHYLLIDE-A)) (RXN-5283 (13-HYDROXY-MAGNESIUM-PROTOPORP) (131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M)) (RXN-5282 (MG-PROTOPORPHYRIN-MONOMETHYL-ESTER) (13-HYDROXY-MAGNESIUM-PROTOPORP)) (RXN1F-10 (MONO-VINYL-PROTOCHLOROPHYLLIDE-A) (CHLOROPHYLLIDE-A)) (RXN1F-72 (DIVINYL-PROTOCHLOROPHYLLIDE-A) (MONO-VINYL-PROTOCHLOROPHYLLIDE-A)) (RXN-MG-PROTOPORPHYRIN-METHYLESTER-SYN (MG-PROTOPORPHYRIN) (MG-PROTOPORPHYRIN-MONOMETHYL-ESTER)) (RXN1F-20 (PROTOPORPHYRIN_IX) (MG-PROTOPORPHYRIN)) (PROTOPORGENOXI-RXN (PROTOPORPHYRINOGEN) (PROTOPORPHYRIN_IX)) (RXN0-1461 (COPROPORPHYRINOGEN_III) (PROTOPORPHYRINOGEN))) ((UROGENDECARBOX-RXN (UROPORPHYRINOGEN-III) (COPROPORPHYRINOGEN_III)) (UROGENIIISYN-RXN (HYDROXYMETHYLBILANE) (UROPORPHYRINOGEN-III)) (RXN-5284 (131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M) (DIVINYL-PROTOCHLOROPHYLLIDE-A)) (RXN-5283 (13-HYDROXY-MAGNESIUM-PROTOPORP) (131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M)) (RXN-5282 (MG-PROTOPORPHYRIN-MONOMETHYL-ESTER) (13-HYDROXY-MAGNESIUM-PROTOPORP)) (RXN1F-88 (CHLOROPHYLL-A) (CHLOROPHYLL-B)) (RXN1F-66 (CHLOROPHYLLIDE-A) (CHLOROPHYLL-A)) (RXN1F-10 (MONO-VINYL-PROTOCHLOROPHYLLIDE-A) (CHLOROPHYLLIDE-A)) (RXN1F-72 (DIVINYL-PROTOCHLOROPHYLLIDE-A) (MONO-VINYL-PROTOCHLOROPHYLLIDE-A)) (RXN1F-9 (MG-PROTOPORPHYRIN-MONOMETHYL-ESTER) (DIVINYL-PROTOCHLOROPHYLLIDE-A)) (RXN-MG-PROTOPORPHYRIN-METHYLESTER-SYN (MG-PROTOPORPHYRIN) (MG-PROTOPORPHYRIN-MONOMETHYL-ESTER)) (RXN1F-20 (PROTOPORPHYRIN_IX) (MG-PROTOPORPHYRIN)) (PROTOPORGENOXI-RXN (PROTOPORPHYRINOGEN) (PROTOPORPHYRIN_IX)) (RXN0-1461 (COPROPORPHYRINOGEN_III) (PROTOPORPHYRINOGEN)) (OHMETHYLBILANESYN-RXN (PORPHOBILINOGEN) (HYDROXYMETHYLBILANE)) (PORPHOBILSYNTH-RXN (5-AMINO-LEVULINATE) (PORPHOBILINOGEN)) (GSAAMINOTRANS-RXN (GLUTAMATE-1-SEMIALDEHYDE) (5-AMINO-LEVULINATE)) (GLUTRNAREDUCT-RXN (|Charged-GLT-tRNAs|) (GLUTAMATE-1-SEMIALDEHYDE)) (GLURS-RXN (GLT) (|Charged-GLT-tRNAs|)))
PWY-5083 NAD/NADH phosphorylation and dephosphorylation PRIMARIES ((NADH-DEHYDROG-A-RXN (NAD) (NADH)) (RXN-7703 (NADPH) (NADH)) (NADH-KINASE-RXN (NADH) (NADPH)) (NAD-KIN-RXN (NAD) (NADP)) (RXN-5822 (NADP) (NAD)) (PYRNUTRANSHYDROGEN-RXN (NAD) (NADP))) ((NADH-DEHYDROG-A-RXN (NAD) (NADH)) (RXN-7703 (NADPH) (NADH)) (NADH-KINASE-RXN (NADH) (NADPH)) (NAD-KIN-RXN (NAD) (NADP)) (NADPPHOSPHAT-RXN (NADP) (NAD)) (PYRNUTRANSHYDROGEN-RXN (NAD) (NADP)))
PREDECESSORS ((NADH-KINASE-RXN RXN-7703) (RXN-7703 NADH-KINASE-RXN) (RXN-7703 NADH-DEHYDROG-A-RXN) (NADH-KINASE-RXN NADH-DEHYDROG-A-RXN) (NADH-DEHYDROG-A-RXN RXN-5822) (NAD-KIN-RXN PYRNUTRANSHYDROGEN-RXN) (NAD-KIN-RXN RXN-5822) (PYRNUTRANSHYDROGEN-RXN RXN-5822) (RXN-5822 PYRNUTRANSHYDROGEN-RXN) (RXN-5822 NAD-KIN-RXN)) ((NADH-KINASE-RXN RXN-7703) (RXN-7703 NADH-KINASE-RXN) (RXN-7703 NADH-DEHYDROG-A-RXN) (NADH-KINASE-RXN NADH-DEHYDROG-A-RXN) (NADH-DEHYDROG-A-RXN NADPPHOSPHAT-RXN) (NAD-KIN-RXN PYRNUTRANSHYDROGEN-RXN) (NAD-KIN-RXN NADPPHOSPHAT-RXN) (PYRNUTRANSHYDROGEN-RXN NADPPHOSPHAT-RXN) (NADPPHOSPHAT-RXN PYRNUTRANSHYDROGEN-RXN) (NADPPHOSPHAT-RXN NAD-KIN-RXN))
REACTION-LIST (RXN-5822 RXN-7703 NADH-KINASE-RXN NADH-DEHYDROG-A-RXN NAD-KIN-RXN PYRNUTRANSHYDROGEN-RXN) (RXN-7703 NADH-KINASE-RXN NADH-DEHYDROG-A-RXN NAD-KIN-RXN NADPPHOSPHAT-RXN PYRNUTRANSHYDROGEN-RXN)
PWY-5381 pyridine nucleotide cycling (plants) LAYOUT-ADVICE (CYCLE-TOP-CPD . NICOTINAMIDE_NUCLEOTIDE) (CYCLE-TOP-CPD . NICOTINATE_NUCLEOTIDE)
PRIMARIES ((RXN-8444 (NICOTINATE_NUCLEOTIDE) (NIACINE)) (NAD-SYNTH-GLN-RXN (DEAMIDO-NAD) (NAD)) (NICONUCADENYLYLTRAN-RXN (NICOTINATE_NUCLEOTIDE) (DEAMIDO-NAD)) (NICOTINATEPRIBOSYLTRANS-RXN (NIACINE) (NICOTINATE_NUCLEOTIDE)) (RXN-8443 (CPD-8259) (NICOTINATE_NUCLEOTIDE)) (RXN-8442 (NIACINE) (CPD-8259)) (NICOTINAMID-RXN (NIACINAMIDE) (NIACINE)) (RXN-8441 (NICOTINAMIDE_RIBOSE) (NIACINAMIDE)) (RXN-5841 (NICOTINAMIDE_NUCLEOTIDE) (NICOTINAMIDE_RIBOSE)) (NMNNUCLEOSID-RXN (NICOTINAMIDE_NUCLEOTIDE) (NIACINAMIDE)) (NADPYROPHOSPHAT-RXN (NAD) (NICOTINAMIDE_NUCLEOTIDE))) ((RXN-8444 (NICOTINATE_NUCLEOTIDE) (NIACINE)) (NAD-SYNTH-GLN-RXN (DEAMIDO-NAD) (NAD)) (NICONUCADENYLYLTRAN-RXN (NICOTINATE_NUCLEOTIDE) (DEAMIDO-NAD)) (NICOTINATEPRIBOSYLTRANS-RXN (NIACINE) (NICOTINATE_NUCLEOTIDE)) (RXN-8443 (CPD-8259) (NICOTINATE_NUCLEOTIDE)) (RXN-8442 (NIACINE) (CPD-8259)) (NICOTINAMID-RXN (NIACINAMIDE) (NIACINE)) (RXN-8441 (NICOTINAMIDE_RIBOSE) (NIACINAMIDE)) (RXN-5841 (NICOTINAMIDE_NUCLEOTIDE) (NICOTINAMIDE_RIBOSE)) (NMNNUCLEOSID-RXN (NICOTINAMIDE_NUCLEOTIDE) (NIACINAMIDE)) (NADNUCLEOSID-RXN (NAD) (NIACINAMIDE)) (NADPYROPHOSPHAT-RXN (NAD) (NICOTINAMIDE_NUCLEOTIDE)))
PREDECESSORS ((NADNUCLEOSID-RXN) (NMNNUCLEOSID-RXN NADPYROPHOSPHAT-RXN) (RXN-8441 RXN-5841) (NADPYROPHOSPHAT-RXN RXN-5841) (RXN-5841 NADPYROPHOSPHAT-RXN) (NICOTINAMID-RXN NADNUCLEOSID-RXN) (NICOTINAMID-RXN NMNNUCLEOSID-RXN) (NICOTINAMID-RXN RXN-8441) (RXN-8442 NICOTINAMID-RXN) (RXN-8443 RXN-8442) (NICOTINATEPRIBOSYLTRANS-RXN NICOTINAMID-RXN) (NICONUCADENYLYLTRAN-RXN RXN-8443) (NICONUCADENYLYLTRAN-RXN NICOTINATEPRIBOSYLTRANS-RXN) (NAD-SYNTH-GLN-RXN NICONUCADENYLYLTRAN-RXN) (NADPYROPHOSPHAT-RXN NAD-SYNTH-GLN-RXN) (RXN-8444 NICOTINATEPRIBOSYLTRANS-RXN) (RXN-8444 RXN-8443) (RXN-8442 RXN-8444) (NICOTINATEPRIBOSYLTRANS-RXN RXN-8444)) ((NMNNUCLEOSID-RXN NADPYROPHOSPHAT-RXN) (RXN-8441 RXN-5841) (NADPYROPHOSPHAT-RXN RXN-5841) (RXN-5841 NADPYROPHOSPHAT-RXN) (NICOTINAMID-RXN NMNNUCLEOSID-RXN) (NICOTINAMID-RXN RXN-8441) (RXN-8442 NICOTINAMID-RXN) (RXN-8443 RXN-8442) (NICOTINATEPRIBOSYLTRANS-RXN NICOTINAMID-RXN) (NICONUCADENYLYLTRAN-RXN RXN-8443) (NICONUCADENYLYLTRAN-RXN NICOTINATEPRIBOSYLTRANS-RXN) (NAD-SYNTH-GLN-RXN NICONUCADENYLYLTRAN-RXN) (NADPYROPHOSPHAT-RXN NAD-SYNTH-GLN-RXN) (RXN-8444 NICOTINATEPRIBOSYLTRANS-RXN) (RXN-8444 RXN-8443) (RXN-8442 RXN-8444) (NICOTINATEPRIBOSYLTRANS-RXN RXN-8444))
SAM-PWY S-adenosyl-L-methionine biosynthesis PRIMARIES NIL (S-ADENMETSYN-RXN (MET) (S-ADENOSYLMETHIONINE))
PREDECESSORS (S-ADENMETSYN-RXN) NIL
PWY-5669 phosphatidylethanolamine biosynthesis I PRIMARIES ((PHOSPHASERSYN-RXN (CDPDIACYLGLYCEROL))) ((GLYCEROL-3-P-ACYLTRANSFER-RXN (GLYCEROL-3P) (ACYL-SN-GLYCEROL-3P)) (PHOSPHASERSYN-RXN (CDPDIACYLGLYCEROL) (L-1-PHOSPHATIDYL-SERINE)))
PWY-5269 cardiolipin biosynthesis II PRIMARIES ((PGPPHOSPHA-RXN (L-1-PHOSPHATIDYL-GLYCEROL-P) (L-1-PHOSPHATIDYL-GLYCEROL)) (PHOSPHAGLYPSYN-RXN (CDPDIACYLGLYCEROL) (L-1-PHOSPHATIDYL-GLYCEROL-P)) (RXN-8141 (L-1-PHOSPHATIDYL-GLYCEROL) (CARDIOLIPIN))) ((PGPPHOSPHA-RXN (L-1-PHOSPHATIDYL-GLYCEROL-P) (L-1-PHOSPHATIDYL-GLYCEROL)) (PHOSPHAGLYPSYN-RXN (CDPDIACYLGLYCEROL) (L-1-PHOSPHATIDYL-GLYCEROL-P)) (RXN-8141 (L-1-PHOSPHATIDYL-GLYCEROL) (CARDIOLIPIN)) (CDPDIGLYSYN-RXN (L-PHOSPHATIDATE) (CDPDIACYLGLYCEROL)))
PWY-5667 CDP-diacylglycerol biosynthesis I PRIMARIES NIL (PHOSPHASERSYN-RXN (CDPDIACYLGLYCEROL) (L-1-PHOSPHATIDYL-SERINE))
PWY-762 phospholipid desaturation LAYOUT-ADVICE (BRANCH-ORDERING RXN-8321 RXN-8328 RXN-8320 RXN-8327) NIL
PWY-3561 choline biosynthesis III PRIMARIES ((RXN-5781 (CDP-CHOLINE) (PHOSPHATIDYLCHOLINE)) (PHOSCHOL-RXN (PHOSPHATIDYLCHOLINE) (CHOLINE)) (2.7.7.15-RXN (PHOSPHORYL-CHOLINE) (CDP-CHOLINE))) ((RXN-5781 (CDP-CHOLINE) (PHOSPHATIDYLCHOLINE)) (PHOSCHOL-RXN (PHOSPHATIDYLCHOLINE) (CHOLINE)) (2.7.8.2-RXN (CDP-CHOLINE) (PHOSPHATIDYLCHOLINE)) (2.7.7.15-RXN (PHOSPHORYL-CHOLINE) (CDP-CHOLINE)))
PWY-5995 linoleate biosynthesis I (plants) PRIMARIES ((RXN-9644 (OLEATE-CPD) (OLEOYL-COA))) ((RXN-9644 (OLEATE-CPD) NIL) (LINOLEOYL-RXN NIL (LINOLEIC_ACID)) (1.14.19.1-RXN (STEAROYL-COA) NIL))
PWY-5989 stearate biosynthesis II (plants) PRIMARIES ((RXN-9632 (|Palmitoyl-ACPs|) NIL) (RXN-9548 NIL (STEARIC_ACID))) ((RXN-9632 (|Palmitoyl-ACPs|) NIL) (RXN-9623 (PALMITATE) (PALMITYL-COA)) (RXN-9548 NIL (STEARIC_ACID)))
PWY-4381 fatty acid biosynthesis initiation I PRIMARIES ((ACETYL-COA-CARBOXYLTRANSFER-RXN (ACETYL-COA) (MALONYL-COA)) (2.3.1.180-RXN (MALONYL-ACP) NIL) (MALONYL-COA-ACP-TRANSACYL-RXN (MALONYL-COA) (MALONYL-ACP))) ((ACETYL-COA-CARBOXYLTRANSFER-RXN (ACETYL-COA) (MALONYL-COA)) (2.3.1.180-RXN (MALONYL-ACP) NIL) (ACP-S-ACETYLTRANSFER-RXN (ACETYL-COA) (ACETYL-ACP)) (3-OXOACYL-ACP-SYNTH-BASE-RXN (ACETYL-ACP MALONYL-ACP) NIL) (MALONYL-COA-ACP-TRANSACYL-RXN (MALONYL-COA) (MALONYL-ACP)))
PWY-5973 cis-vaccenate biosynthesis PRIMARIES ((2.3.1.179-RXN (|Palmitoleoyl-ACPs|) NIL) (RXN-9555 (|Cis-vaccenoyl-ACPs|) (CPD-9247))) ((2.3.1.179-RXN (|Palmitoleoyl-ACPs|) NIL) (RXN-9555 (|Cis-vaccenoyl-ACPs|) (CPD-9247)) (RXN-9550 NIL (CPD-9245)))
FASYN-ELONG-PWY fatty acid elongation -- saturated POLYMERIZATION-LINKS ((|Saturated-Fatty-Acyl-ACPs| ENOYL-ACP-REDUCT-NADH-RXN 3-OXOACYL-ACP-SYNTH-RXN)) ((|Saturated-Fatty-Acyl-ACPs| ENOYL-ACP-REDUCT-NADPH-RXN 3-OXOACYL-ACP-SYNTH-RXN) ((|Saturated-Fatty-Acyl-ACPs| ENOYL-ACP-REDUCT-NADH-RXN 3-OXOACYL-ACP-SYNTH-RXN)))
PRIMARIES ((ENOYL-ACP-REDUCT-NADPH-RXN (TRANS-D2-ENOYL-ACP) NIL)) ((3-OXOACYL-ACP-SYNTH-RXN (|Saturated-Fatty-Acyl-ACPs|) (B-KETOACYL-ACP)) ((ENOYL-ACP-REDUCT-NADPH-RXN (TRANS-D2-ENOYL-ACP) NIL)))
PWY-282 cuticular wax biosynthesis PRIMARIES ((RXN-1021 (VERY-LONG-CHAIN-FATTY-ACYL-COA) NIL) (RXN-1023 (|Secondary-Alcohols|) (LONG-CHAIN-KETONE)) (RXNQT-4192 (VERY-LONG-CHAIN-FATTY-ACYL-COA))) ((RXN-1023 (|Secondary-Alcohols|) (LONG-CHAIN-KETONE)) (RXNQT-4193 (|aprimaryalcohol|) (|Wax-Esters|)) (RXNQT-4192 (VERY-LONG-CHAIN-FATTY-ACYL-COA) (|aprimaryalcohol|)) (ICOSANOYL-COA-SYNTHASE-RXN (STEAROYL-COA) (CPD-9965)))
PWY-782 glycolipid desaturation LAYOUT-ADVICE (BRANCH-ORDERING RXN-8295 RXN-8304 RXN-8294 RXN-1728) NIL
PREDECESSORS ((RXN-8369 RXN-8366) (RXN-8368 RXN-8367) (RXN-8364 RXN-8363) (RXN-8306 RXN-8298) (RXN-8297 RXN-8304) (RXN-8295 RXN-8294) (RXN-8297 RXN-8296) (RXN-8299 RXN-8298) (RXN-8301 RXN-8300) (RXN-8303 RXN-8302) (RXN-8302 RXN-1728) (RXN-8300 RXN-8303) (RXN-8307 RXN-8295) (RXN-8308 RXN-8307) (RXN-8309 RXN-8308) (RXN-8296 RXN-1728) (RXN-8298 RXN-8302) (RXN-8308 RXN-8297) (RXN-8309 RXN-8299) (RXN-8305 RXN-8304) (RXN-8306 RXN-8305) (RXN-8304 RXN-8294) (RXN-8301 RXN-8306) (RXN-8311 RXN-8310) (RXN-8314 RXN-8313)) ((RXN-8369 RXN-8366) (RXN-8368 RXN-8367) (RXN-8365) (RXN-8364 RXN-8363) (RXN-8306 RXN-8298) (RXN-8297 RXN-8304) (RXN-8295 RXN-8294) (RXN-8297 RXN-8296) (RXN-8299 RXN-8298) (RXN-8301 RXN-8300) (RXN-8303 RXN-8302) (RXN-8302 RXN-1728) (RXN-8300 RXN-8303) (RXN-8307 RXN-8295) (RXN-8308 RXN-8307) (RXN-8309 RXN-8308) (RXN-8296 RXN-1728) (RXN-8298 RXN-8302) (RXN-8308 RXN-8297) (RXN-8309 RXN-8299) (RXN-8305 RXN-8304) (RXN-8306 RXN-8305) (RXN-8304 RXN-8294) (RXN-8301 RXN-8306) (RXN-8311 RXN-8310) (RXN-8314 RXN-8313))
TRIGLSYN-PWY triacylglycerol biosynthesis PRIMARIES ((RXN-1641 (DIACYLGLYCEROL) (|Triacylglycerols|)) (RXN-1381 (GLYCEROL-3P) (ACYL-SN-GLYCEROL-3P)) (DIACYLGLYCEROL-O-ACYLTRANSFERASE-RXN (DIACYLGLYCEROL) (|Triacylglycerols|))) ((RXN-1641 (DIACYLGLYCEROL) (|Triacylglycerols|)) (RXN-1381 (GLYCEROL-3P) (ACYL-SN-GLYCEROL-3P)) (DIACYLGLYCEROL-O-ACYLTRANSFERASE-RXN (DIACYLGLYCEROL) (|Triacylglycerols|)) (GLYCEROL-3-P-ACYLTRANSFER-RXN NIL (ACYL-SN-GLYCEROL-3P)))
PWY-5885 wax esters biosynthesis II PRIMARIES ((RXN-9356 (CPD-9965) (|Medium-Chain-Esters|)) (DIACYLGLYCEROL-O-ACYLTRANSFERASE-RXN (DIACYLGLYCEROL) (|Triacylglycerols|))) ((RXN-9356 (CPD-9965) (CPD-9966)) (DIACYLGLYCEROL-O-ACYLTRANSFERASE-RXN (DIACYLGLYCEROL) (|Triacylglycerols|)) (2.3.1.75-RXN (ACYL-COA) (CO-A)))
PWYQT-4427 sulfolipid biosynthesis PRIMARIES ((RXN-1223 (CPD-12575) (UDP-SULFOQUINOVOSE)) (RXN-1224 NIL (SULFOQUINOVOSYLDIACYLGLYCEROL))) ((RXN-1224 NIL (SULFOQUINOVOSYLDIACYLGLYCEROL)) (RXN-1223 (UDP-GLUCOSE) NIL) (RXN-1225 (|D-Galactosyl-12-diacyl-glycerols|) (|Galactosyl-galactosyl-diacyl-glycerols|)) (2.4.1.46-RXN (DIACYLGLYCEROL) (|D-Galactosyl-12-diacyl-glycerols|)))
PWY-401 glycolipid biosynthesis PRIMARIES ((RXN-9721 (|D-Galactosyl-12-diacyl-glycerols|) (CPD-10364)) (RXN-1226 (|D-Galactosyl-12-diacyl-glycerols|) (CPD-10363)) (RXN-1225 (|D-Galactosyl-12-diacyl-glycerols|) (|Galactosyl-galactosyl-diacyl-glycerols|)) (2.4.1.46-RXN (DIACYLGLYCEROL) (|D-Galactosyl-12-diacyl-glycerols|))) ((RXN-9721 (|D-Galactosyl-12-diacyl-glycerols|) (CPD-10364)) (RXN-1226 (|D-Galactosyl-12-diacyl-glycerols|) (CPD-10363)) (RXN-1224 NIL (SULFOQUINOVOSYLDIACYLGLYCEROL)) (RXN-1223 (UDP-GLUCOSE) NIL) (RXN-1225 (|D-Galactosyl-12-diacyl-glycerols|) (|Galactosyl-galactosyl-diacyl-glycerols|)) (2.4.1.46-RXN (DIACYLGLYCEROL) (|D-Galactosyl-12-diacyl-glycerols|)))
PWY-5692 allantoin degradation to glyoxylate II PRIMARIES NIL (UREIDOGLYCOLATE-LYASE-RXN (CPD-1091) (GLYOX))
PWY-5173 superpathway of acetyl-CoA biosynthesis LAYOUT-ADVICE (CYCLE-TOP-CPD . Pyruvate-dehydrogenase-lipoate) NIL
PRIMARIES (RXN0-1133 NIL (ACETYL-COA)) NIL
PHOTOALL-PWY oxygenic photosynthesis PRIMARIES ((1.2.1.13-RXN (NADPH DPG) (GAP)) (PSII-RXN (WATER) (E- OXYGEN-MOLECULE))) ((GAPDHSYNEC-RXN (NADH-P-OR-NOP DPG) (GAP)) (PSII-RXN (WATER) (E- OXYGEN-MOLECULE)) (PSI-RXN (E- NADP) NIL))
PREDECESSORS ((1.2.1.13-RXN 1.18.1.2-RXN) PWY-101 CALVIN-PWY) (PWY-101 CALVIN-PWY)
PWY-5004 superpathway of citrulline metabolism LAYOUT-ADVICE (CYCLE-TOP-CPD . L-ORNITHINE) NIL
PREDECESSORS (CITRULBIO-PWY PWY-4984 (ARGSUCCINSYN-RXN) (ARGSUCCINLYA-RXN ARGSUCCINSYN-RXN) (ARGSUCCINSYN-RXN NITRIC-OXIDE-SYNTHASE-RXN) (NITRIC-OXIDE-SYNTHASE-RXN ARGSUCCINLYA-RXN) PWY-4983) (CITRULBIO-PWY PWY-4984 PWY-4983)
PWY-6446 benzoate biosynthesis III (CoA-dependent, non-β-oxidative) PREDECESSORS ((RXN-2002 RXN-2001) PWY-6457 (BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN RXN-11278) (RXN-11278 RXN-2002)) ((RXN-2002 RXN-2001) (BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN RXN-11278) (RXN-11278 RXN-2002))
REACTION-LIST (PWY-6457 BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN RXN-11278 RXN-2002) (BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN RXN-11278 RXN-2002)
PWY-2541 plant sterol biosynthesis PRIMARIES ((RXN-11931 (CPD-12907) (CPD-12908)) (RXN-11936 (CPD-12911) (CPD-12912)) (RXN-11925 (CPD-12865) (CPD-12866)) (RXN-8352 (CPD-8134) (CPD-4161)) (RXN-8353 (CPD-4141) (CPD-8134)) (2.1.1.143-RXN (CPD-4101) (CPD-4124))) ((RXN-4243 (CPD-4143) (CPD-4162)) (RXN-11931 (CPD-12907) (CPD-12908)) (RXN-11936 (CPD-12911) (CPD-12912)) (RXN-11925 (CPD-12865) (CPD-12866)) (RXN-8352 (CPD-8134) (CPD-4161)) (RXN-8353 (CPD-4141) (CPD-8134)) (2.1.1.143-RXN (CPD-4101) (CPD-4124)))
PWY4FS-5 superpathway of phosphatidylcholine biosynthesis LAYOUT-ADVICE (BRANCH-ORDERING RXN4FS-4 2.1.1.71-RXN) NIL
PHOSLIPSYN2-PWY phospholipid biosynthesis II LAYOUT-ADVICE (BRANCH-ORDERING GLYC3PDEHYDROGBIOSYN-RXN ETHANOLAMINE-KINASE-RXN RXN4FS-3 RXN-5643) NIL
PREDECESSORS ((RXN-1623 RXN-10462) PWY4FS-8 PWY4FS-7 (2.1.1.103-RXN ETHANOLAMINE-KINASE-RXN) (RXN-1382 ETHANOLAMINEPHOSPHOTRANSFERASE-RXN) (PHOSPHASERDECARB-RXN RXN-1382) (RXN-1382 PHOSPHASERDECARB-RXN) (PHOSPHASERSYN-RXN CDPDIGLYSYN-RXN) (2.7.8.11-RXN CDPDIGLYSYN-RXN) PWY4FS-6 PWY-5669 PWY3O-450 PWY4FS-2 PWY4FS-3 PWY4FS-4 PWY-5667 PWY0-1319) (PWY4FS-8 PWY4FS-7 (2.1.1.103-RXN ETHANOLAMINE-KINASE-RXN) (RXN-1382 ETHANOLAMINEPHOSPHOTRANSFERASE-RXN) (PHOSPHASERDECARB-RXN RXN-1382) (RXN-1382 PHOSPHASERDECARB-RXN) (PHOSPHASERSYN-RXN CDPDIGLYSYN-RXN) (2.7.8.11-RXN CDPDIGLYSYN-RXN) PWY4FS-6 PWY-5669 PWY3O-450 PWY4FS-2 PWY4FS-3 PWY4FS-4 PWY-5667 PWY0-1319)
PWY-5156 superpathway of fatty acid biosynthesis II (plant) PREDECESSORS ((RXN-9632 RXN-9663) (RXN-9632 RXN-9542) (RXN-9514 2.3.1.180-RXN) PWY-5971 (RXN-7903 RXN-9635) PWY-5989 PWY-4381 PWY-5147) ((RXN-9632 RXN-9663) (RXN-9514 2.3.1.180-RXN) PWY-5971 (RXN-7903 RXN-9635) PWY-5989 PWY-4381 PWY-5147)
4 Pathways have differences in slot HYPOTHETICAL-REACTIONS between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
PWY-2602 brassinosteroid biosynthesis III NIL (RXN-4263 RXN-4262)
PWY-5868 simplecoumarins biosynthesis NIL (RXN-9289 RXN-9271 RXN-9272 RXN-9273 RXN-9274 RXN-9268 RXN-9267 RXN-9265 RXN-9264 RXN-9261 RXN-9260)
MANNOSYL-CHITO-DOLICHOL-BIOSYNTHESIS dolichyl-diphosphooligosaccharide biosynthesis NIL (RXN-5469 RXN-5464)
THISYNARA-PWY thiamine biosynthesis II (RXNQT-4301 RXNQT-4300) NIL
19 Pathways have differences in slot ENZYMES-NOT-USED between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
PWY-5690 TCA cycle variation III (eukaryotic) (CPLX-7322 ENSG00000014641-MONOMER ENSG00000138413-MONOMER) (AT2G42790-MONOMER AT3G58750-MONOMER)
GLYOXYLATE-BYPASS glyoxylate cycle (MALSYNG-MONOMER CPLX0-251) NIL
PWY-5486 pyruvate fermentation to ethanol II CPLX-6960 NIL
GLYCOLYSIS glycolysis I (AT2G36530-MONOMER MONOMER-9165 AT3G55440-MONOMER CPLX-5403 MONOMER-9123 MONOMER-12859 MONOMER-12710 CPLX-5521 CPLX-5522 MONOMER-12898 MONOMER-12902 MONOMER-12840 MONOMER-12841 MONOMER-2301) (AT2G36460-MONOMER AT3G52930-MONOMER AT1G13440-MONOMER AT3G04120-MONOMER CPLXQT-50 CPLXQT-49 CPLXQT-48 CPLX-7279 CPLX-7280)
PWY-1042 glycolysis IV (plant cytosol) (MONOMER-12893 MONOMER-12838 MONOMER-12850 MONOMER-12897 MONOMER-12899 MONOMER-12901 MONOMER-12903 CPLX-7279 CPLX-7280 MONOMER-12711 MONOMER-12861 MONOMER-9124 CPLX-5402) (AT2G21330-MONOMER AT2G01140-MONOMER AT4G38970-MONOMER AT1G16300-MONOMER AT1G79530-MONOMER CPLXQT-50 CPLXQT-49 CPLXQT-48 CPLX-7279 CPLX-7280)
PWY-6535 4-aminobutyrate degradation I GABATRANSAM-CPLX NIL
PWY-5350 thiosulfate disproportionation III (rhodanese) NIL (AT1G79230-MONOMER AT1G16460-MONOMER AT5G66040-MONOMER)
CYANCAT-PWY cyanate degradation CPLX0-7521 NIL
GLYOXDEG-PWY glycolate and glyoxylate degradation II MALATE-SYNTHASE NIL
PWY0-1182 trehalose degradation II (trehalase) TREHALAPERI-MONOMER NIL
PWY-1121 suberin biosynthesis NIL (AT1G69500-MONOMER AT2G45970-MONOMER AT2G27690-MONOMER AT4G00360-MONOMER AT1G01600-MONOMER)
LEUSYN-PWY leucine biosynthesis NIL (AT1G10060-MONOMER AT1G70560-MONOMER AT1G23320-MONOMER)
VALSYN-PWY valine biosynthesis NIL AT1G10060-MONOMER
ILEUSYN-PWY isoleucine biosynthesis I (from threonine) THREDEHYDCAT-CPLX AT1G10060-MONOMER
PWY-1001 cellulose biosynthesis NIL AT1G02730-MONOMER
TRESYN-PWY trehalose biosynthesis I (G6425-MONOMER G7187-MONOMER EG11195-MONOMER EG11470-MONOMER) NIL
PWY-5971 palmitate biosynthesis II (bacteria and plants) FABA-CPLX NIL
PWY-4381 fatty acid biosynthesis initiation I NIL AT1G36160-MONOMER
ARGSYN-PWY arginine biosynthesis I SUCCORNTRANSAM-CPLX NIL
21 Pathways have differences in slot NET-REACTION-EQUATION between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
DETOX1-PWY superoxide radicals degradation NIL 2H+ + 2O2(.-) = H2O + 1.5O2
OXIDATIVEPENT-PWY pentose phosphate pathway (oxidative branch) NIL 3 glucose 6-P + 6 NADP+ = 3 ribulose 5-P + 6 NADPH + 6 H+ + 3 CO2
NONOXIPENT-PWY pentose phosphate pathway (non-oxidative branch) NIL 3 ribulose 5-P = 2 fructose 6-P + glyceraldehyde 3-P
GLYOXYLATE-BYPASS glyoxylate cycle NIL 2 AcetylCoA + NAD(+) = succinate + 2 CoA + NADH + H(+)
GLYCOLYSIS glycolysis I NIL Glucose + 2 Pi + 2 ADP + 2 NAD = 2 pyruvate + 2 ATP + 2 NADH + 2 H + 2 H(2)O
PYRUVDEHYD-PWY acetyl-CoA biosynthesis (from pyruvate) NIL pyruvate + Coenzyme A + NAD = acetyl-CoA + CO2 + NADH
XYLCAT-PWY xylose degradation I NIL xylose + ATP = xylulose-5-phosphate + ADP
SERSYN-PWY serine biosynthesis NIL 3-phosphoglycerate + NAD+ + L-glutamate + H2O + H+ = L-serine + NADH + H+ + Pi + alpha-ketoglutarate
TRPSYN-PWY tryptophan biosynthesis NIL chorismate + glutamine + PRPP + serine = glutamate + pyruvate + pyrophosphate + CO2 + H2O + glyceraldehyde 3-phosphate + tryptophan
CYSTSYN-PWY cysteine biosynthesis I NIL L-serine + acetyl CoA + sulfide = L-cysteine + CoA + acetate
LEUSYN-PWY leucine biosynthesis NIL 2-keto-isovalerate + acetyl CoA + H2O + NAD+ + glutamate = leucine + CoA + NADH + H+ + CO2 + 2-oxo-glutarate
VALSYN-PWY valine biosynthesis NIL 2 pyruvate + NADPH + H+ + glutamate = CO2 + NADP+ + H2O + alpha-ketoglutarate + valine
ILEUSYN-PWY isoleucine biosynthesis I (from threonine) NIL threonine + NH3 + pyruvate + NADPH + H+ + glutamate = isoleucine + H2O + NADP+ + 2-ketoglutarate + CO2
ASPARTATESYN-PWY aspartate biosynthesis NIL oxaloacetate + L-glutamate = L-aspartate + 2-oxoglutarate
CALVIN-PWY Calvin-Benson-Bassham cycle NIL 6 CO2 + 18 ATP + 12 NAD(P)H + + 12 H2O =
C6H12O6 + 18 ADP + 18 Pi + 12 NAD(P)+ + 6 H+
TRESYN-PWY trehalose biosynthesis I NIL UDP-glucose + D-glucose-6-phosphate + H2O = trehalose + UDP + Pi
GLUTATHIONESYN-PWY glutathione biosynthesis NIL L-cysteine + L-glutamate + glycine + 2 ATP = glutathione + 2 Pi + 2 ADP
PHOTOALL-PWY oxygenic photosynthesis NIL 6 H2O + 6 CO2 = C6H12O6 + 6 O2
PENTOSE-P-PWY pentose phosphate pathway NIL 3 glucose 6-P + 6 NADP+ + H2O = 6 NADPH + 6 H+ + 3 CO2 + glyceraldehyde 3-P + 2 beta-D-fructose-6-P
THRESYN-PWY threonine biosynthesis NIL aspartate + 2ATP + 2NADPH + 2H+ + H2O = L-threonine + 2ADP + 2NADP+ + 2Pi
ARGSYN-PWY arginine biosynthesis I NIL 2 L-glutamate + acetyl-CoA + carbamoyl phosphate + aspartate + 2 ATP + NADPH + H+ + H2O = arginine + acetate + CoA + fumarate + 2-ketoglutarate + AMP + 3 Pi + NADP+ + ADP
41 Pathways have differences in slot SYNONYMS between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
PWY-2261 ascorbate glutathione cycle ("hydrogen peroxide detoxification") ("removal of H2O2" "hydrogen peroxide detoxification")
DETOX1-PWY superoxide radicals degradation removal of superoxide radicals NIL
PWY-5690 TCA cycle variation III (eukaryotic) ("TCA" "TCA cycle -- aerobic respiration" "tricarboxylic acid cycle" "citric acid cycle") ("TCA" "TCA cycle -- aerobic respiration" "tricarboxylic acid cycle" "citric acid cycle" "TCA cycle variation III (eukaryotic)")
ASPARAGINE-DEG1-PWY asparagine degradation I asparagine degradation 1 NIL
GLUTAMATE-DEG1-PWY glutamate degradation I ("GDH shunt") ("glutamate dehydrogenase shunt" "GDH shunt")
PWY-5084 2-ketoglutarate dehydrogenase complex ("2-oxoglutarate dehydrogenase complex") ("2-oxoglutarate dehydrogenase complex" "2-keto glutarate dehydrogenase complex")
PYRUVDEHYD-PWY acetyl-CoA biosynthesis (from pyruvate) ("pyruvate dehydrogenase complex") ("acetyl-CoA biosynthesis (from pyruvate)" "pyruvate dehydrogenase complex")
PWY-3461 tyrosine biosynthesis II pretyrosine pathway NIL
ARGSYNBSUB-PWY arginine biosynthesis II (acetyl cycle) NIL ornithine, citrulline and arginine biosynthesis (cyclic)
CITRULBIO-PWY citrulline biosynthesis NIL ornithine and citrulline biosynthesis
VALSYN-PWY valine biosynthesis NIL valsyn
PWY-3982 uracil degradation II (reductive) ("β-alanine biosynthesis") ("β-alanine biosynthesis from uracil" "β-alanine biosynthesis IV" "β-alanine biosynthesis III")
PWY-5686 uridine-5'-phosphate biosynthesis ("pyrimidine biosynthesis" "de novo biosynthesis of uridine-5'-phosphate" "de novo biosynthesis of uridine-5'-monophosphate") ("de novo biosynthesis of UMP")
PWY-4661 1D-myo-inositol hexakisphosphate biosynthesis III (Spirodela polyrrhiza) ("lipid-independent phytic acid biosynthesis" "lipid-independent InsP6 biosynthesis" "lipid-independent phytate biosynthesis" "hexakisphosphate biosynthesis (lipid-independent)" "phytate biosynthesis") ("lipid-independent phytic acid biosynthesis" "lipid-independent InsP6 biosynthesis")
PWY-6199 quercetinsulphates biosynthesis NIL quercetinsulfates biosynthesis
PWY-361 phenylpropanoid biosynthesis ("monolignol biosynthesis" "lignin biosynthesis") ("monolignols biosynthesis" "monolignol biosynthesis" "lignin biosynthesis")
ASPSYNII-PWY cyanide detoxification ("β-cyanoalanine biosynthesis" "asparagine biosynthesis II") ("β-cyanoalanine biosynthesis" "cyanide detoxification")
PWY-5271 phaseic acid biosynthesis ("abscisate degradation I" "abscisic acid degradation I" "ABA hydroxylation pathway" "abscisic acid hydroxylation pathway" "8'-hydroxylation pathway") ("dihydrophaseic acid biosynthesis" "abscisate degradation I" "abscisic acid degradation I" "ABA hydroxylation pathway" "abscisic acid hydroxylation pathway" "8'-hydroxylation pathway")
PWY-5035 gibberellin biosynthesis III (early C-13 hydroxylation) NIL GA biosynthesis III (early C-13 hydroxylation)
PWY-5409 divinyl ether biosynthesis II ("etheroleate biosynthesis" "13-LOX and 13-DES pathway") NIL
PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis ("13-lipoxygenase and 13-hydroperoxide lyase pathway" "13-LOX and 13-HPL pathway") ("13-lipoxygenase and 13-hydroperoxide lyase pathway")
MANNOSYL-CHITO-DOLICHOL-BIOSYNTHESIS dolichyl-diphosphooligosaccharide biosynthesis ("mannosyl-chito-dolichol biosynthesis" "N-linked glycosylation") ("mannosyl-chito-dolichol biosynthesis")
PWY-4821 UDP-D-xylose and UDP-D-glucuronate biosynthesis ("UDP-xylose biosynthesis" "UDPXyl biosynthesis" "UDP-glucuronate biosynthesis (from UDP-glucose)" "UDP-glucuronic acid biosynthesis (from UDP-glucose)" "UDP-GlcA biosynthesis") ("UDP-xylose biosynthesis" "UDPXyl biosynthesis" "UDP-glucuronate biosynthesis (from UDP-glucose)" "UDP-glucuronic acid biosynthesis (from UDP-glucose)" "UDPGlcA biosynthesis")
PWY-4841 UDP-D-glucuronate biosynthesis (from myo-inositol) ("UDP-D-GlcA biosynthesis" "UDP-D-glucuronic acid biosynthesis" "inositol oxidation pathway") ("UDP-D-glucuronate biosynthesis (from myo-inositol)" "UDP-D-GlcA biosynthesis" "UDP-D-glucuronic acid biosynthesis" "inositol oxidation pathway")
CALVIN-PWY Calvin-Benson-Bassham cycle ("photosynthetic dark reactions" "photosynthetic CO2 fixation" "reductive pentose phosphate pathway" "Calvin cycle" "photosynthesis - dark reaction" "carbon fixation" "Calvin-Benson cycle") ("Calvin cycle" "Calvin-Benson cycle" "carbon fixation" "photosynthesis - dark reaction" "photosynthetic dark reactions" "photosynthetic CO2 fixation" "reductive pentose phosphate pathway" "Calvin-Benson-Bassham cycle")
PWY0-662 PRPP biosynthesis I 5-phosphoribosyl 1-pyrophosphate biosynthesis NIL
PWY-882 ascorbate biosynthesis I (L-galactose pathway) ("vitamin C biosynthesis" "ascorbic acid biosynthesis" "L-ascorbate biosynthesis" "Smirnoff-Wheeler pathway") ("vitamin C biosynthesis" "ascorbic acid biosynthesis" "L-ascorbate biosynthesis")
PWY-5123 trans, trans-farnesyl diphosphate biosynthesis ("FPP biosynthesis" "trans, trans-farnesyl diphosphate biosynthesis") ("trans,trans-farnesyl diphosphate biosynthesis" "FPP biosynthesis")
PYRIDNUCSYN-PWY NAD biosynthesis I (from aspartate) nicotinamide adenine dinucleotide biosynthesis NIL
PWY-5381 pyridine nucleotide cycling (plants) NIL Preiss-Handler salvage pathway
SAM-PWY S-adenosyl-L-methionine biosynthesis S-adenosylmethionine biosynthesis NIL
PWY-5143 fatty acid activation ("acyl-CoA synthetase pathway") ("acyl-CoA synthetase pathway" "fatty acid activation")
PWY0-1264 biotin-carboxyl carrier protein assembly BCCP assembly BCCP
PENTOSE-P-PWY pentose phosphate pathway ("pentose shunt" "hexose monophosphate shunt" "phosphogluconate pathway" "superpathway of oxidative and non-oxidative branches of pentose phosphate pathway") ("pentose shunt" "hexose monophosphate shunt" "phosphogluconate pathway")
PWY-724 superpathway of lysine, threonine and methionine biosynthesis II ("aspartate super pathway") ("aspartate super pathway" "aspartate-derived amino acid biosynthesis")
PWY-3001 isoleucine biosynthesis I superpathway of isoleucine biosynthesis isoleucine biosynthesis I
ARGSYN-PWY arginine biosynthesis I NIL ornithine, citrulline and arginine biosynthesis (linear)
BRANCHED-CHAIN-AA-SYN-PWY superpathway of leucine, valine, and isoleucine biosynthesis ("branched amino acid biosynthesis") ("branched amino acid biosynthesis" "branched-chain amino acid biosynthesis")
PWY-5918 heme biosynthesis I NIL ("superpathway of protoheme IX biosynthesis" "superpathway of heme b biosynthesis")
PWY-5121 superpathway of geranylgeranyldiphosphate biosynthesis II (via MEP) ("GGPP biosynthesis II (plastidic)") ("GGPP biosynthesis II (plastidic)" "superpathway of geranylgeranyldiphosphate biosynthesis II (via MEP)")
PWY-5910 superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate) ("GGPP biosynthesis") ("GGPP biosynthesis" "superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate)")
21 Pathways have differences in slot COMMON-NAME between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
PWY66-21 ethanol degradation II (cytosol) ethanol degradation II (cytosol) oxidative ethanol degradation I
PWY66-162 ethanol degradation IV (peroxisomal) ethanol degradation IV (peroxisomal) oxidative ethanol degradation III
PWY-102 gibberellin inactivation I (2β-hydroxylation) gibberellin inactivation I (2β-hydroxylation) gibberellin inactivation
PWY-3982 uracil degradation II (reductive) uracil degradation II (reductive) uracil degradation (reductive)
BSUBPOLYAMSYN-PWY spermidine biosynthesis I spermidine biosynthesis I spermidine biosynthesis
PWY0-166 pyrimidine deoxyribonucleotides de novo biosynthesis I pyrimidine deoxyribonucleotides de novo biosynthesis I pyrimidine deoxyribonucleotides de novo biosynthesis
PWY-6275 β-caryophyllene biosynthesis β-caryophyllene biosynthesis beta-caryophyllene biosynthesis
PWY-5032 ent-kaurene biosynthesis I ent-kaurene biosynthesis I ent-kaurene biosynthesis
PWY-5409 divinyl ether biosynthesis II divinyl ether biosynthesis II divinyl ether biosynthesis II (13-LOX)
PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis traumatin and (Z)-3-hexen-1-yl acetate biosynthesis 13-LOX and 13-HPL pathway
PWY-4821 UDP-D-xylose and UDP-D-glucuronate biosynthesis UDP-D-xylose and UDP-D-glucuronate biosynthesis UDP-D-xylose biosynthesis
PWY-5871 ubiquinol-9 biosynthesis (eukaryotic) ubiquinol-9 biosynthesis (eukaryotic) ubiquinone-9 biosynthesis (eukaryotic)
PWY-2201 folate transformations I folate transformations I folate transformations
PWY-3841 folate transformations II (plants) folate transformations II (plants) formylTHF biosynthesis II
PWY-2161 folate polyglutamylation folate polyglutamylation folate polyglutamylation I
PWY-5123 trans, trans-farnesyl diphosphate biosynthesis trans, trans-farnesyl diphosphate biosynthesis trans,trans-farnesyl diphosphate biosynthesis
PWY-5122 geranyl diphosphate biosynthesis geranyl diphosphate biosynthesis geranyldiphosphate biosynthesis
SAM-PWY S-adenosyl-L-methionine biosynthesis S-adenosyl-L-methionine biosynthesis S-adenosylmethionine biosynthesis
PWY-2541 plant sterol biosynthesis plant sterol biosynthesis plant sterol biosynthesis I
PWY4FS-8 phosphatidylglycerol biosynthesis II (non-plastidic) phosphatidylglycerol biosynthesis II (non-plastidic) phosphatidylglycerol biosynthesis II
PWY4FS-7 phosphatidylglycerol biosynthesis I (plastidic) phosphatidylglycerol biosynthesis I (plastidic) phosphatidylglycerol biosynthesis I (plastid)
121 Pathways have differences in slot CREDITS between PlantCyc and MaizeCyc.
ID Name MaizeCyc Value PlantCyc Value
DETOX1-PWY superoxide radicals degradation (SRI |caspi| O-18 |riley| THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWY-101 photosynthesis light reactions (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|) NIL
OXIDATIVEPENT-PWY pentose phosphate pathway (oxidative branch) (|riley| O-18 O0-3 |ingraham|) (O0-3 |ingraham|)
NONOXIPENT-PWY pentose phosphate pathway (non-oxidative branch) (|riley| O-18 O0-3 |ingraham|) (O0-3 |ingraham|)
GLYOXYLATE-BYPASS glyoxylate cycle (SRI |caspi|) NIL
PWY-5486 pyruvate fermentation to ethanol II (SRI |caspi|) (|dreher|)
PWY-5481 pyruvate fermentation to lactate (SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |dreher|)
GLYCOLYSIS glycolysis I (O0-3 |ingraham|) NIL
LIPAS-PWY triacylglycerol degradation (SRI |Iourovitski|) NIL
LIPASYN-PWY phospholipases zhang NIL
ASPARAGINE-DEG1-PWY asparagine degradation I (SRI |fulcher|) NIL
PWY-701 methionine degradation II (O-18 |pellegrini-toole|) NIL
VALDEG-PWY valine degradation I (|wagg| SRI |caspi|) (|wagg|)
GLUTAMATE-DEG1-PWY glutamate degradation I (|caspi| SRI |wagg|) NIL
LEU-DEG2-PWY leucine degradation I (|fulcher| |caspi| SRI |wagg|) (|wagg|)
ILEUDEG-PWY isoleucine degradation I (|caspi| SRI |hying|) NIL
PWY-5084 2-ketoglutarate dehydrogenase complex (SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier| SRI |caspi|)
PWY66-162 ethanol degradation IV (peroxisomal) NIL (THE-ARABIDOPSIS-INFORMATION-RESOURCE |dreher|)
PWY-5698 allantoin degradation to ureidoglycolate II (ammonia producing) (|caspi| SRI |keseler|) (SRI |caspi|)
P401-PWY cyanide degradation (|hartmut|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWYQT-4432 glutathione degradation (|hartmut|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWYQT-4429 CO2 fixation into oxaloacetate (|tissier| THE-ARABIDOPSIS-INFORMATION-RESOURCE SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|)
PWY-5350 thiosulfate disproportionation III (rhodanese) (SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |dreher|)
CYANCAT-PWY cyanate degradation (|hartmut| O-18 |riley| SRI |keseler|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWY-4984 urea cycle (|hartmut| SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
GLYOXDEG-PWY glycolate and glyoxylate degradation II (|hartmut| O-18 |riley| O0-3 |ingraham|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PYRUVDEHYD-PWY acetyl-CoA biosynthesis (from pyruvate) (|caspi| SRI O0-3 |ingraham|) NIL
PWY-6317 galactose degradation I (Leloir pathway) (SRI |caspi|) NIL
PWY0-1182 trehalose degradation II (trehalase) (|keseler| SRI |caspi|) NIL
XYLCAT-PWY xylose degradation I (O-18 |riley| O0-3 |ingraham|) (O0-3 |ingraham|)
PWY0-1301 melibiose degradation (TIGR |djohnson|) NIL
PWY-3861 mannitol degradation II NIL (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|)
PWY-1081 homogalacturonan degradation (O-28 |pujar|) NIL
PWY-1121 suberin biosynthesis NIL zhang
PWY-5041 S-adenosyl-L-methionine cycle II (SRI |caspi|) NIL
PWY-702 methionine biosynthesis II (THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|) NIL
ASPARAGINE-BIOSYNTHESIS asparagine biosynthesis I (SRI |fulcher|) NIL
SERSYN-PWY serine biosynthesis (|riley| O-18) NIL
PWY-3461 tyrosine biosynthesis II (SRI |caspi|) NIL
ALANINE-SYN2-PWY alanine biosynthesis II (|keseler| O0-3 |ingraham| SRI |shearer|) (O0-3 |ingraham|)
PWY0-1021 alanine biosynthesis III (|hartmut| O0-3 |ingraham| SRI |shearer|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
GLUGLNSYN-PWY glutamate biosynthesis IV (|hong| |balakrishnan| SRI |caspi| O-16) (|balakrishnan|)
PWY-4341 glutamate biosynthesis V (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|) NIL
TRPSYN-PWY tryptophan biosynthesis (SRI |fulcher|) NIL
PWY-801 homocysteine and cysteine interconversion (O-18 |pellegrini-toole|) NIL
CYSTSYN-PWY cysteine biosynthesis I (SRI |caspi|) NIL
HISTSYN-PWY histidine biosynthesis (|caspi| SRI |shearer|) (SRI |shearer|)
ARGSYNBSUB-PWY arginine biosynthesis II (acetyl cycle) (SRI |caspi| O-18 |pellegrini-toole|) NIL
CITRULBIO-PWY citrulline biosynthesis (SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |dreher|)
HOMOSERSYN-PWY homoserine biosynthesis (|paley| SRI |shearer|) NIL
LEUSYN-PWY leucine biosynthesis (|caspi| O-18 |riley| SRI |shearer|) NIL
ARG-PRO-PWY arginine degradation VI (arginase 2 pathway) (|caspi| SRI |hying|) NIL
PWY-4981 proline biosynthesis II (from arginine) (SRI |caspi|) NIL
VALSYN-PWY valine biosynthesis (O-18 |riley| SRI |shearer|) NIL
PWY-3982 uracil degradation II (reductive) Annot. on value caspi, REVISED: (3474913698 3375020212);Annot. on value SRI, REVISED: (3474913698 3375020212); Annot. on value caspi, REVISED: (3375020212);Annot. on value SRI, REVISED: (3375020212);
ILEUSYN-PWY isoleucine biosynthesis I (from threonine) (O-18 |riley| SRI |shearer|) NIL
HOMOSER-THRESYN-PWY threonine biosynthesis from homoserine (SRI |shearer|) NIL
ASPARTATESYN-PWY aspartate biosynthesis (O-18 |riley| |ingraham| O0-3 SRI |fulcher|) (O0-3 |ingraham|)
BSUBPOLYAMSYN-PWY spermidine biosynthesis I (SRI |caspi| O-18 |pellegrini-toole|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier| SRI |caspi| O-18 |pellegrini-toole|)
PWY-43 putrescine biosynthesis II (SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier| SRI |caspi|)
UDPNACETYLGALSYN-PWY UDP-N-acetyl-D-glucosamine biosynthesis II (|fulcher| SRI |hying|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|)
PWY-5686 uridine-5'-phosphate biosynthesis (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut| SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWY0-166 pyrimidine deoxyribonucleotides de novo biosynthesis I (|hartmut| SRI |fulcher|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWY-5687 pyrimidine ribonucleotides interconversion (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut| SRI |caspi|) (|zhang| THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut| SRI |caspi|)
PWY-6124 inosine-5'-phosphate biosynthesis II (SRI |caspi|) NIL
PWY-6121 5-aminoimidazole ribonucleotide biosynthesis I (SRI |caspi|) NIL
ETHYL-PWY ethylene biosynthesis from methionine (O-28 |pujar|) NIL
PWY-4661 1D-myo-inositol hexakisphosphate biosynthesis III (Spirodela polyrrhiza) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|) NIL
PWY-5868 simplecoumarins biosynthesis NIL (THE-ARABIDOPSIS-INFORMATION-RESOURCE |karthik|)
PWY-6763 salicortin biosynthesis NIL (THE-ARABIDOPSIS-INFORMATION-RESOURCE |dreher|)
PWY-5168 ferulate and sinapate biosynthesis (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|) NIL
PWY-2181 free phenylpropanoid acid biosynthesis (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|) NIL
PWY-6095 dammara-18(28),21-diene biosynthesis NIL (O-28 |pujar|)
PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|)
MANNOSYL-CHITO-DOLICHOL-BIOSYNTHESIS dolichyl-diphosphooligosaccharide biosynthesis (SRI |fulcher|) NIL
PWYQT-4436 UDP-galactose biosynthesis NIL (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|)
PWYQT-4437 UDP-glucose biosynthesis (from glucose 6-phosphate) NIL (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|)
PWY-5659 GDP-mannose biosynthesis (SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|)
CALVIN-PWY Calvin-Benson-Bassham cycle (SRI |caspi| O-18 |pellegrini-toole|) NIL
TRESYN-PWY trehalose biosynthesis I (SRI |caspi| O-18 |riley|) NIL
PWY0-662 PRPP biosynthesis I (|hartmut|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWY-4983 citrulline-nitric oxide cycle (|hartmut| SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWY-5791 1,4-dihydroxy-2-naphthoate biosynthesis II (plants) (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|)
PWY-4081 glutathione redox reactions I (|hartmut| SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
THIOREDOX-PWY thioredoxin pathway (|hartmut| SRI |fulcher| O-18 |riley|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
GLUTATHIONESYN-PWY glutathione biosynthesis (SRI |keseler| O-18 |riley| THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|) (|hartmut|)
PWY-2201 folate transformations I (SRI |caspi|) NIL
PWY-2161 folate polyglutamylation (|hartmut| SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PLPSAL-PWY pyridoxal 5'-phosphate salvage pathway (|hartmut|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
RIBOSYN2-PWY flavin biosynthesis I (bacteria and plants) (|hartmut| O-18 |riley| SRI |keseler|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWY-1422 vitamin E biosynthesis (THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|) NIL
PWY0-501 lipoate biosynthesis and incorporation I (|caspi| SRI |arnaud|) NIL
COA-PWY coenzyme A biosynthesis (|keseler| SRI |arnaud| THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|) (|arnaud|)
HEME-BIOSYNTHESIS-II heme biosynthesis from uroporphyrinogen-III I (|hying| |fulcher| |dreher| THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut| SRI |caspi| O-18 |riley|) (|dreher| THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut| SRI |caspi| O-18 |riley|)
PWY-5068 chlorophyll cycle (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|) NIL
PWY-5120 geranylgeranyldiphosphate biosynthesis (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|) NIL
PWY-5805-ARA nonaprenyl diphosphate biosynthesis III NIL (SRI |caspi|)
SAM-PWY S-adenosyl-L-methionine biosynthesis (|riley| O-18) NIL
PWY0-1319 CDP-diacylglycerol biosynthesis II (|caspi| SRI |keseler|) (|zhang| SRI |keseler|)
PWY-5667 CDP-diacylglycerol biosynthesis I Annot. on value caspi, REVISED: (3426341635);Annot. on value SRI, REVISED: (3426341635); Annot. on value caspi, REVISED: NIL;Annot. on value SRI, REVISED: NIL;
PWY-5366 palmitoleate biosynthesis II (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|)
PWY-5147 oleate biosynthesis I (plants) (SRI |caspi|) NIL
PWY-5367 petroselinate biosynthesis (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|)
PWY-4381 fatty acid biosynthesis initiation I (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|) NIL
PWY-6710 poly-hydroxy fatty acids biosynthesis NIL (THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|)
PWY-5143 fatty acid activation (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |zhang|) NIL
PWYQT-4427 sulfolipid biosynthesis (SRI |caspi|) NIL
PWY-6663 plant sterol biosynthesis II NIL (THE-ARABIDOPSIS-INFORMATION-RESOURCE |dreher|)
PWYQT-62 superpathway of proto- and siroheme biosynthesis NIL (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWY-5694 allantoin degradation to glyoxylate I NIL (SRI |caspi|)
PWY-5692 allantoin degradation to glyoxylate II NIL (SRI |caspi|)
PHOTOALL-PWY oxygenic photosynthesis (O-18 |pellegrini-toole|) NIL
PENTOSE-P-PWY pentose phosphate pathway (O0-3 |ingraham|) NIL
PWY-5004 superpathway of citrulline metabolism (SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|)
THRESYN-PWY threonine biosynthesis (O-18 |riley| SRI |shearer|) NIL
PWY-3001 isoleucine biosynthesis I (SRI |caspi|) NIL
ARGSYN-PWY arginine biosynthesis I (SRI |caspi| O-18 |riley|) NIL
PWY-841 purine nucleotides de novo biosynthesis II (|hartmut| O-18 |pellegrini-toole| SRI |fulcher|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWY-4041 γ-glutamyl cycle (|hartmut| SRI |caspi|) (THE-ARABIDOPSIS-INFORMATION-RESOURCE |hartmut|)
PWY-5121 superpathway of geranylgeranyldiphosphate biosynthesis II (via MEP) (SRI |caspi| THE-ARABIDOPSIS-INFORMATION-RESOURCE |tissier|) NIL
PWY-5156 superpathway of fatty acid biosynthesis II (plant) (SRI |caspi|) NIL