CHEBI:131952 - 2-aminobenzoylacetyl-CoA

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ChEBI Name 2-aminobenzoylacetyl-CoA ChEBI ID CHEBI:131952 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-aminobenzoylacetic acid. Stars This entity has been manually annotated by the ChEBI Team. 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 C30H43N8O18P3S Net Charge 0 Average Mass 928.694 Monoisotopic Mass 928.16289 InChI InChI=1S/C30H43N8O18P3S/c1-30(2,25(43)28(44)34-8-7-20(40)33-9-10-60-21(41)11-18(39)16-5-3-4-6-17(16)31)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h3-6,14-15,19,23-25,29,42-43H,7-13,31H2,1-2H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,23-,24-,25+,29-/m1/s1 InChIKey OLOTULRNHWZRKJ-FUEUKBNZSA-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(CC(C4=CC=CC=C4N)=O)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O Metabolite of Species Details Pseudomonas aeruginosa (NCBI:txid287) 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): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 2-aminobenzoylacetyl-CoA (CHEBI:131952) has role bacterial metabolite (CHEBI:76969) 2-aminobenzoylacetyl-CoA (CHEBI:131952) is a acyl-CoA (CHEBI:17984) 2-aminobenzoylacetyl-CoA (CHEBI:131952) is conjugate acid of 2-aminobenzoylacetyl-CoA(4−) (CHEBI:131447) Incoming 2-aminobenzoylacetyl-CoA(4−) (CHEBI:131447) is conjugate base of 2-aminobenzoylacetyl-CoA (CHEBI:131952) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(2-aminophenyl)-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonym Source 2-aminobenzoylacetyl-coenzyme A ChEBI Manual Xref Database CPD-19113 MetaCyc View more database links Registry Number Type Source 28365195 Reaxys Registry Number Reaxys Citation Type Source 25960261 PubMed citation Europe PMC Last Modified 18 May 2016