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2-succinylbenzoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM726805Image of MNXM726805
#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 7
formulaC32H39N7O20P3S
charge-5
mass966.672
referencechebi:57364
InChIKeyKVAQAPQXOXTRAE-HSJNEKGZSA-I
InChIInChI=1S/C32H44N7O20P3S/c1-32(2,26(44)29(45)35-10-9-21(41)34-11-12-63-22(42)8-7-19(40)17-5-3-4-6-18(17)31(46)47)14-56-62(53,54)59-61(51,52)55-13-20-25(58-60(48,49)50)24(43)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h3-6,15-16,20,24-26,30,43-44H,7-14H2,1-2H3,(H,34,41)(H,35,45)(H,46,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/p-5/t20-,24-,25-,26+,30-/m1/s1
SMILES[CH3:1][C:32]([CH3:2])([CH2:14][O:56][P:62]([OH:53])(=[O:54])[O:59][P:61]([OH:51])(=[O:52])[O:55][CH2:13][C@@H:20]1[C@@H:25]([O:58][P:60]([OH:48])([OH:49])=[O:50])[C@@H:24]([OH:43])[C@H:30]([n:39]2[cH:16][n:38][c:23]3[c:27]([NH2:33])[n:36][cH:15][n:37][c:28]32)[O:57]1)[C@H:26]([C:29](=[N:35][CH2:10][CH2:9][C:21](=[N:34][CH2:11][CH2:12][S:63][C:22]([CH2:8][CH2:7][C:19]([c:17]1[cH:5][cH:3][cH:4][cH:6][c:18]1[C:31](=[O:46])[OH:47])=[O:40])=[O:42])[OH:41])[OH:45])[OH:44]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:57364
chebi:57364 		2-succinylbenzoyl-CoA
4-(2'-carboxyphenyl)-4-oxobutyryl-CoA(5-)
4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5-)
OSB-CoA(5-)
kegg.compound:C03160
keggC:C03160 		2-Succinylbenzoyl-CoA
4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA
Succinylbenzoyl-CoA
o-Succinylbenzoyl-CoA
metacyc.compound:CPD-6972
metacycM:CPD-6972 		4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
2-(3'-carboxypropionyl)benzoyl-CoA
2-succinylbenzoyl-CoA
o-succinylbenzoyl-CoA
succinylbenzoyl-CoA
hmdb:HMDB0304165 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
2-[4-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino}-1-oxidopropylidene)amino]ethyl}sulfanyl)-4-oxobutanoyl]benzoate
2-[4-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino}-1-oxidopropylidene)amino]ethyl}sulfanyl)-4-oxobutanoyl]benzoic acid
2-[4-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino}-1-oxidopropylidene)amino]ethyl}sulphanyl)-4-oxobutanoyl]benzoate
2-[4-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-1-oxidobutylidene]amino}-1-oxidopropylidene)amino]ethyl}sulphanyl)-4-oxobutanoyl]benzoic acid
2-{4-[(2-{[3-({4-[({[5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethyl-1-oxidobutylidene}amino)-1-oxidopropylidene]amino}ethyl)sulfanyl]-4-oxobutanoyl}benzoate
CHEBI:15509
chebi:15509 		4-(2-carboxyphenyl)-4-oxobutanoyl-CoA
4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A
Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)
OSB-CoA
o-Succinylbenzoyl-CoA
ortho-Succinylbenzoyl-coa
bigg.metabolite:sbzcoa
biggM:sbzcoa 		O-Succinylbenzoyl-CoA
seed.compound:cpd02021
seedM:cpd02021 		Succinylbenzoyl-CoA
2-(3'-carboxypropionyl)benzoyl-CoA
2-Succinylbenzoyl-CoA
2-succinylbenzoyl-CoA
4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA
O-Succinylbenzoyl-CoA
o-Succinylbenzoyl-CoA
o-succinylbenzoyl-CoA
sbzcoa
succinylbenzoyl-CoA
chebi:12700
chebi:1279
chebi:12836
chebi:19779
biggM:M_sbzcoa
keggC:M_C03160
seedM:M_cpd02021 		secondary/obsolete/fantasy identifier