1-hydroxy-2-methylbutyl-thiamine pyrophosphate

Molecular Formula: C₁₇H₂₉N₄O₇P₂S⁺

InChI: InChI=1/C17H28N4O7P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(31-17)6-7-29(23,24)28-30(25,26)27/h8,10,15,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/fC17H29N4O7P2S/h23,25-26H,18H2/q+1

InChIKey: InChIKey=MOEKSHHMFNQKPI-RIPJBVQCCJ
SMILES: CCC(C)C(C1=[N+](C(=C(S1)CCP(=O)(O)OP(=O)(O)O)C)CC2=CN=C(N=C2N)C)O

Names:
    CHEBI:29141
    1-hydroxy-2-methylbutyl-thiamine diphosphate
    1-hydroxy-2-methylbutyl-thiamine pyrophosphate
    2-methyl-1-hydroxybutylthiamine diphosphate
    2-methyl-1-hydroxybutyl-thiamine diphosphate
    2-methyl-1-hydroxybutyl-thiamine pyrophosphate
    3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methylbutyl)-5-{2-[hydroxy(phosphonooxy)phosphoryl]ethyl
    [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methyl-butyl)-4-methyl-1,3-thiazol-5-yl]ethyl-hydroxy-phosphoryl]oxyphosphonic acid

Registries:
    PubChem CID 5460645
    PubChem ID 8146704