thiamine triphosphate

Chemical Formula:

C₁₂H₁₆N₄O₁₀P₃S

Molecular Weight:

501.26 Daltons

Monoisotopic Mass:

505.01129810379996 Daltons

SMILES:

CC1([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))

InChI:

1S/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)/p-3

InChIKey:

IWLROWZYZPNOFC-UHFFFAOYSA-K

Synonyms

thiamin triphosphate

Databases

MetaCyc: CPD-611

MetaboLights: MTBLC58938

HMDB: HMDB01512

ChemSpider: 13082025

ChEBI: 58938

PubChem (CID): 15938964

KEGG: C03028

CAS: 15666-52-1

Reactome: 964965

Seed: cpd01937

MetaNetX: MNXM1341