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2-succinylbenzoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM726805

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	7

formula

C₃₂H₃₉N₇O₂₀P₃S

charge

-5

mass

966.12109

reference

chebi:57364

InChIKey

KVAQAPQXOXTRAE-HSJNEKGZSA-I

InChI

InChI=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

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)c1ccccc1C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
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
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