hydroxymethylglutaryl-CoA

[1. Abbreviation for β-hydroxy-β-methylglutaryl-CoA.

Molecular Formula: C₂₇H₄₄N₇O₂₀P₃S

InChI: InChI=1/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,19-,20-,21?,25-,27+/m1/s1/f/h29-30,36,43-44,46,48H,28H2

InChIKey: InChIKey=CABVTRNMFUVUDM-NAHPZRKADL
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=O)O)O)O

Names:
    C00356
    HMG-CoA
    Hydroxymethylglutaroyl coenzyme A
    hydroxymethylglutaryl-CoA
    (S)-3-hydroxy-3-methylglutaryl-CoA
    (3S)-4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-3-hydroxy-3-methyl-butanoic acid
    1553-55-5
    3-Hydroxy-3-methylglutaryl-CoA

Registries:
    PubChem CID 439218
    PubChem ID 3649