CHEBI:15509 - 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA

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ChEBI Name 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA ChEBI ID CHEBI:15509 Definition A member of the class of acyl-CoAs that is the S-[4-(2-carboxyphenyl)-4-oxobutanoyl] derivative of coenzyme A. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1279, CHEBI:19779, CHEBI:12700, CHEBI:12836 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H44N7O20P3S Net Charge 0 Average Mass 971.715 Monoisotopic Mass 971.15747 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)/t20-,24-,25-,26+,30-/m1/s1 InChIKey KVAQAPQXOXTRAE-HSJNEKGZSA-N 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 Metabolite of Species Details Escherichia coli (NCBI:txid562) See: PubMed Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. View more via ChEBI Ontology ChEBI Ontology Outgoing 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA (CHEBI:15509) has functional parent 2-succinylbenzoic acid (CHEBI:44788) 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA (CHEBI:15509) has role Escherichia coli metabolite (CHEBI:76971) 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA (CHEBI:15509) is a acyl-CoA (CHEBI:17984) 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA (CHEBI:15509) is conjugate acid of 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5−) (CHEBI:57364) Incoming 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5−) (CHEBI:57364) is conjugate base of 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA (CHEBI:15509) Synonyms Sources 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA ChEBI 4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A ChEBI 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA KEGG COMPOUND Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) ChemIDplus o-Succinylbenzoyl-CoA KEGG COMPOUND ortho-Succinylbenzoyl-coa ChemIDplus OSB-CoA ChEBI Manual Xref Database C03160 KEGG COMPOUND View more database links Registry Number Type Source 72471-59-1 CAS Registry Number ChemIDplus Citations Types Sources 12615349 PubMed citation Europe PMC 18208520 PubMed citation Europe PMC 18973344 PubMed citation Europe PMC 28559280 PubMed citation Europe PMC 500558 PubMed citation Europe PMC 8626063 PubMed citation Europe PMC 8955296 PubMed citation Europe PMC Last Modified 25 July 2017

General Comment 2011-05-17 A key intermediate in the biosynthesis of menaquinone (vitamin K2) in bacteria.