1-hydroxy-2-methylpropyl-thiamine pyrophosphate

Molecular Formula: C16H27N4O7P2S+


InChI: InChI=1/C16H26N4O7P2S/c1-9(2)14(21)16-20(8-12-7-18-11(4)19-15(12)17)10(3)13(30-16)5-6-28(22,23)27-29(24,25)26/h7,9,14,21H,5-6,8H2,1-4H3,(H4-,17,18,19,22,23,24,25,26)/p+1/fC16H27N4O7P2S/h22,24-25H,17H2/q+1

InChIKey: InChIKey=GXFYTSRVOMWIGY-UTXPGGKZCO
SMILES: CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C(C)C)O)CCP(=O)(O)OP(=O)(O)O

Names:
    CHEBI:29142
    1-hydroxy-2-methylpropyl-thiamine diphosphate
    1-hydroxy-2-methylpropyl-thiamine pyrophosphate
    2-methyl-1-hydroxypropylthiamine diphosphate
    2-methyl-1-hydroxypropyl-thiamine diphosphate
    2-methyl-1-hydroxypropyl-thiamine pyrophosphate
    3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methylpropyl)-5-{2-[hydroxy(phosphonooxy)phosphoryl]ethyl
    [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methyl-propyl)-4-methyl-1,3-thiazol-5-yl]ethyl-hydroxy-phosphoryl]oxyphosphonic acid

Registries:
    PubChem CID 5460644
    PubChem ID 8146703