Thiamine Monophosphate
Thiamine_monophosphate synonyms
Thiamine monophosphate; Thiamin phosphate; Thiamine phosphate; Thiamin monophosphate; TPS; TMP; 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium
Graphical representations:
View large 3D structure
Molecular Formula: C12H18N4O4PS+
Natural Isotopic Abundance Mass: 345.334481
Mono-Isotopic Molecular Masses:
- C12N14: 345.078637287
- C13N14: 357.1188953406
- C12N15: 349.0667768598
- C13N15: 361.1070349134
InChI string: InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
PubChem Compound (CID): 1131ChEBI: CHEBI:9533
ChemSpider: 1099
MMDB: 62237.5
KEGG Compound ID: C01081
PDB Compound ID: TPS
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)