Phenylacetyl-coenzyme A

Molecular Formula: C₂₉H₄₂N₇O₁₇P₃S

InChI: InChI=1/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/f/h31-32,42-43,45,47H,30H2

InChIKey: InChIKey=ZIGIFDRJFZYEEQ-WXBBAMDSDT
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4

Names:
    Coenzyme A, S-(benzeneacetate)
    Phenylacetyl-CoA
    phenylacetyl-CoA
    Phenylacetyl-CoA
    Phenylacetyl-coa
    phenylacetyl-CoA
    Phenylacetyl-coenzyme A
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-[2-(2-phenylacetyl)sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 165620
    ChEBI 15537
    Kegg C00582
    PubChem ID 10255982
    PubChem ID 3861