(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA

Molecular Formula: C₂₆H₄₄N₇O₁₈P₃S

InChI: InChI=1/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/f/h28-29,40-41,43,45H,27H2

InChIKey: InChIKey=PEKYNTFSOBAABV-XITYUZFJCN
SMILES: CC(C(C)O)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:
    (S)-3-hydroxy-2-methylbutyryl-CoA
    (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
    (2S,3S)-3-hydroxy-2-methylbutyryl-CoA
    2-methyl-3-hydroxybutyryl-CoA
    2-METHYL-3-HYDROXY-BUTYRYL-COA
    3-hydroxy-2-methylbutyryl-CoA
    [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-(3-hydroxy-2-methyl-butanoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 52
    PubChem ID 1958