2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl coenzyme A

InChI: InChI=1/C31H48N7O18P3S/c1-16-10-18(39)17(31(16,4)5)11-21(41)60-9-8-33-20(40)6-7-34-28(44)25(43)30(2,3)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h10,14-15,17,19,23-25,29,42-43H,6-9,11-13H2,1-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,19-,23-,24-,25+,29-/m1/s1/f/h33-34,45-46,48,50H,32H2

InChIKey: InChIKey=QRPFCCJPSQOMPY-FPPZTLDDDK
SMILES: CC1=CC(=O)C(CC(=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)C1(C)C

Names:
    (2,3,3-trimethyl-5-oxocyclopent-3-enyl)acetyl-CoA
    2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl coenzyme A
    2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl-CoA

Registries:
    PubChem CID 441235
    ChEBI 27866
    Kegg C07160
    PubChem ID 9369
    UM-BBD c0411