1-hydroxy-3-methylbutyl-thiamine pyrophosphate

Molecular Formula: C17H29N4O7P2S+


InChI: InChI=1/C17H28N4O7P2S/c1-10(2)7-14(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)15(31-17)5-6-29(23,24)28-30(25,26)27/h8,10,14,22H,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=FNWPWAAIDUNOEO-RIPJBVQCCF
SMILES: CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(CC(C)C)O)CCP(=O)(O)OP(=O)(O)O

Names:
    CHEBI:29143
    1-hydroxy-3-methylbutyl-thiamine diphosphate
    1-hydroxy-3-methylbutyl-thiamine pyrophosphate
    3-methyl-1-hydroxybutylthiamine diphosphate
    3-methyl-1-hydroxybutyl-thiamine diphosphate
    3-methyl-1-hydroxybutyl-thiamine pyrophosphate
    3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxy-3-methylbutyl)-5-{2-[hydroxy(phosphonooxy)phosphoryl]ethyl
    [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxy-3-methyl-butyl)-4-methyl-1,3-thiazol-5-yl]ethyl-hydroxy-phosphoryl]oxyphosphonic acid

Registries:
    PubChem CID 5460643
    PubChem ID 8146702