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

Molecular Formula: C₃₁H₄₈N₇O₁₈P₃S

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)/t17u,19-,23-,24-,25+,29-/m1/s1/f/h33-34,45-46,48,50H,32H2

InChIKey: InChIKey=QRPFCCJPSQOMPY-CLXKDHKJDH
SMILES: CC1=CC(=O)C(C1(C)C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O

Names:
    CHEBI:27866
    (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
    3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetyl]sulfanyl
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-[2-[2-(2,2,3-trimethyl-5-oxo-1-cyclopent-3-enyl)acetyl]sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 9542993
    PubChem ID 17425064