p-Coumaroyl-CoA


InChI: InChI=1/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1/f/h32-33,44-45,47,49H,31H2

InChIKey: InChIKey=DMZOKBALNZWDKI-NWTFFERCDI
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)C=Cc4ccc(O)cc4

CAS number 119785-99-8

Names:
    p-Coumaroyl-CoA
    4-Coumaroyl-CoA
    4-coumaroyl-CoA
    4-Coumaroyl-CoA
    4-Coumaroyl-coa
    4-coumaroyl-CoA
    4-Coumaroyl-coenzyme A
    4-Hydroxycinnamoyl-CoA

Registries:
    PubChem CID 324
    Beilstein =6047295
    CAS 119785-99-8 (from NIST)
    ChEBI 15499
    Kegg C00223
    PubChem ID 3523