4-carboxy-1-hydroxybutyl-thiamine pyrophosphate

Molecular Formula: C₁₇H₂₇N₄O₉P₂S⁺

InChI: InChI=1/C17H26N4O9P2S/c1-10-14(6-7-31(25,26)30-32(27,28)29)33-17(13(22)4-3-5-15(23)24)21(10)9-12-8-19-11(2)20-16(12)18/h8,13,22H,3-7,9H2,1-2H3,(H5-,18,19,20,23,24,25,26,27,28,29)/p+1/fC17H27N4O9P2S/h23,25,27-28H,18H2/q+1

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

Names:
    CHEBI:29144
    3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(4-carboxy-1-hydroxybutyl)-5-(2-diphosphoethyl)-4-methyl-1,3-thiazolium
    3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(4-carboxy-1-hydroxybutyl)-5-{2-[hydroxy(phosphonooxy)phosphoryl]ethyl
    4-carboxy-1-hydroxybutylthiamine diphosphate
    4-carboxy-1-hydroxybutyl-thiamine diphosphate
    4-carboxy-1-hydroxybutyl-thiamine pyrophosphate
    5-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[2-(hydroxy-phosphonooxy-phosphoryl)ethyl]-4-methyl-1,3-thiazol-2-yl]-5-hydroxy-pentanoic acid

Registries:
    PubChem CID 5460642
    PubChem ID 8146701