caffeoyl-CoA
InChI: InChI=1/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t19-,23-,24-,25+,29-/m1/s1/f/h32-33,45-46,48,50H,31H2
InChIKey: InChIKey=QHRGJMIMHCLHRG-QWWFGFCUDT
SMILES: [H]C(=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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)c4ccc(O)c(O)c4
Names:
Caffeoyl-CoA
caffeoyl-CoA
Caffeoyl-CoA
caffeoyl-CoA
3,4-dihydroxyacryloyl-CoA
Registries:
PubChem CID 5280336
ChEBI 15518
Kegg C00323
PubChem ID 3617
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