THIAMINE TRIPHOSPHORIC ACID ESTER

PubChem Notes:

Thiamine Triphosphate 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,8,8-tetrahydroxy-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)thiazolium hydroxide, inner salt, P,P',P''-trioxide. The triphosphate ester of thiamine. In Leigh's disease, this compound is present in decreased amounts in the brain due to a metabolic block in its formation.

Molecular Formula: C12H19N4O10P3S


InChI: InChI=1/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/f/h17,20,22H,13H2

InChIKey: InChIKey=IWLROWZYZPNOFC-OHVCCWHBCA
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)[O-]

Names:
    Thiamine triphosphate
    Thiamine triphosphorate
    THIAMINE TRIPHOSPHORIC ACID ESTER
    Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,8,8-tetrahydroxy-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-, inner salt, P,P',P''-trioxide
    2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-[hydroxy-(hydroxy-oxido-phosphoryl)oxy-phosphoryl]oxy-phosphinic acid
    3475-65-8
    534-78-1

Registries:
    PubChem CID 18989
    PubChem ID 161947