4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA

InChI: InChI=1/C31H48N7O18P3S/c1-16(2)17-5-6-18(19(39)11-17)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(3,4)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-15,17-18,20,23-25,29,41-42H,1,5-13H2,2-4H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,18?,20-,23-,24-,25+,29-/m1/s1/f/h33-34,45-46,48,50H,32H2

InChIKey: InChIKey=RTPWRCREAVUAOI-CWTYACEGDF
SMILES: CC(=C)C1CCC(C(=O)C1)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n3cnc4c(N)ncnc34

Names:
    4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA
    4-isopropenyl-2-oxocyclohexane-1-carbonyl-CoA
    4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA

Registries:
    PubChem CID 443520
    ChEBI 29489
    Kegg C11935
    PubChem ID 14096