Isovaleryl-CoA

Molecular Formula: C₂₆H₄₄N₇O₁₇P₃S

InChI: InChI=1/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1/f/h28-29,39-40,42,44H,27H2

InChIKey: InChIKey=UYVZIWWBJMYRCD-ZMMOAUCADV
SMILES: CC(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

Names:
    Isovaleryl-CoA
    isovaleryl-CoA
    Isovaleryl-CoA
    3-isovaleryl-CoA
    3-Methylbutanoyl-CoA
    3-methylbutanoyl-CoA
    3-Methylbutanoyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-[2-(3-methylbutanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 165435
    ChEBI 15487
    Kegg C02939
    PubChem ID 10255918
    PubChem ID 5858