has role has functional parent is conjugate acid of acetyl-CoA phenylacetyl-CoA 0 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(phenylacetyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 885.157 885.66804 An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenylacetic acid. C29H42N7O17P3S CAS:7532-39-0 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1 CHEBI:14780 CHEBI:15537 CHEBI:25980 CHEBI:8086 Coenzyme A, S-(benzeneacetate) HMDB:HMDB06503 InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1 KEGG:C00582 KNApSAcK:C00007536 PMID:11260461 PMID:2009287 PMID:2553650 PMID:6142928 PMID:666745 PMID:6838224 PMID:8352646 PMID:9297469 Phenylacetyl coenzyme A Phenylacetyl-CoA Phenylacetyl-coa Phenylacetyl-coenzyme A Reaxys:8399067 ZIGIFDRJFZYEEQ-CECATXLMSA-N chebi_ontology acyl-CoA phenylacetic acid phenylacetyl-CoA(4-) mouse metabolite Escherichia coli metabolite