3-Hydroxyisobutyryl coenzyme A

Molecular Formula: C₂₅H₄₂N₇O₁₈P₃S

InChI: InChI=1/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13u,14-,17-,18-,19?,23-/m1/s1/f/h27-28,39-40,42,44H,26H2

InChIKey: InChIKey=WWEOGFZEFHPUAM-OYAXRCHMDI
SMILES: CC(CO)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

Names:
    C04047
    3-Hydroxyisobutyryl coenzyme A
    3-Hydroxyisobutyryl-CoA
    3-Hydroxy-2-methylpropanoyl-CoA
    3-Hydroxy-2-methylpropionyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-(3-hydroxy-2-methyl-propanoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 440205
    PubChem ID 6748