Thiamine monophosphate

Thiamine monophosphate is a thiamine derivative. It occurs naturally in milk.[1]

Thiamine monophosphate

Identifiers
CAS Number	10023-48-0
3D model (JSmol)	Interactive image
ChEBI	CHEBI:18338
ChemSpider	10307
ECHA InfoCard	100.007.762
MeSH	Thiamine+Monophosphate
PubChem CID	10761
CompTox Dashboard (EPA)	DTXSID6046397
InChI InChI=1S/C12H17N4O4PS.ClH/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);1H Key: GUGWNSHJDUEHNJ-UHFFFAOYSA-N InChI=1/C12H17N4O4PS.ClH/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);1H Key: GUGWNSHJDUEHNJ-UHFFFAOYAK
SMILES Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O.[Cl-]
Properties
Chemical formula	C12H18N4O4PS+
Molar mass	345.336 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

References

1. Schmidt, Anatol; Pratsch, Herbert; Schreiner, Maximilian G.; Mayer, Helmut K. (2017). "Determination of the native forms of vitamin B1 in bovine milk using a fast and simplified UHPLC method". Food Chemistry. 229: 452–457. doi:10.1016/j.foodchem.2017.02.092. PMID 28372200.