CHEBI:57364 - 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5−)
ChEBI ID CHEBI:57364
ChEBI ASCII Name 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5-)
Definition An acyl-CoA oxoanion that is the pentaanion of 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C32H39N7O20P3S
Net Charge -5
Average Mass 966.676
Monoisotopic Mass 966.118
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
InChIKey KVAQAPQXOXTRAE-HSJNEKGZSA-I
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCC(=O)C=4C=CC=CC4C(=O)[O-])=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5−) (CHEBI:57364) is a acyl-CoA oxoanion (CHEBI:58946)
4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5−) (CHEBI:57364) is conjugate base of 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA (CHEBI:15509)
Incoming 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA (CHEBI:15509) is conjugate acid of 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5−) (CHEBI:57364)
Synonyms Sources
2-succinylbenzoyl-CoA UniProt
4-(2'-carboxyphenyl)-4-oxobutyryl-CoA(5−) ChEBI
OSB-CoA(5−) ChEBI
Last Modified
25 July 2017