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CHEBI:760681 - phenoxyacetyl-CoA(4-)

Default Structure
ChEBI IDCHEBI:760681
ChEBI Namephenoxyacetyl-CoA(4-)
Stars
Last Modified1 August 2026
Submitterabridge
DownloadsMolfile
FormulaC29H38N7O18P3S
Net Charge-4
Average Mass897.643
Monoisotopic Mass897.12288
SMILESCC(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)COc1ccccc1
InChIInChI=1S/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-58-20(38)13-49-17-6-4-3-5-7-17)14-51-57(47,48)54-56(45,46)50-12-18-23(53-55(42,43)44)22(39)28(52-18)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)/p-4/t18-,22-,23-,24+,28-/m1/s1
InChIKeySBPBPUFWNOBPMN-CECATXLMSA-J
ChEBI Ontology
Outgoing Relation(s)
phenoxyacetyl-CoA(4-) (CHEBI:760681) is a acyl-CoA(4−) (CHEBI:58342)
phenoxyacetyl-CoA(4-) (CHEBI:760681) is conjugate base of phenoxyacetyl-CoA (CHEBI:28964)
UniProt Name  Source
phenoxyacetyl-CoAUniProt