Structure via PubChem · Public domain (PubChem)
monophosphothiamine
Sign in to saveAlso known as thiamine monophosphate chloride, vitamin B1 phosphate, vitamin B1 monophosphate, monophosphoric ester of thiamine
chemical compound
In the Vinony graph
Within Vinony's link graph, monophosphothiamine is referenced by 11 other articles, and connects out to International Standard Book Number, digital object identifier and chemical formula.
It sits within the topics Chembox image size set, ECHA InfoCard ID from Wikidata and Organophosphates.
Its subject is documented across 9 Wikipedia language editions.
Chemical data
- Formula
- C12H18ClN4O4PS
- Molecular weight
- 380.79 g/mol
- IUPAC name
- 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate chloride
- SMILES
- CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.[Cl-]
- InChIKey
- GUGWNSHJDUEHNJ-UHFFFAOYSA-N
- Polar surface area
- 151 Ų
- H-bond donors
- 3
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 2
- Molecule type
- Small molecule
via ChEMBL · EBI
Research
2 papers- [Determination of cocarboxylase, monophosphothiamine, triphosphothiamine and thiamine by ion exchange chromatographic separation and spectrophotometric determination].Annali dell'Istituto superiore di sanita · 1968
- [Separation by ion exchange chromatography and spectrophotometric determination of cocarboxylase, monophosphothiamine and thiamine].Annali dell'Istituto superiore di sanita · 1971
via PubMed
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 380.047
Show 5 more facts
- chemical formula
- C₁₂H₁₈ClN₄O₄PS
- canonical SMILES
- CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.[Cl-]
- Commons category
- Thiamine monophosphate
- World Health Organisation international non-proprietary name
- monophosphothiamine
- subject has role
- vitamin B
Sources (2)
via Wikidata · CC0
Connections
International Standard Book Number
Entity
digital object identifier
Entity
chemical formula
Entity
thiamine(1+) ion
Entity
molar mass
Entity
PubMed
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bibcode
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CAS Registry Number
Entity
PubMed Central
Entity
PubChem
Entity
Medical Subject Headings
Entity
simplified molecular input line entry specification
Entity
ChemSpider
Entity
International Chemical Identifier
Entity
European Chemicals Agency
Entity
alkaline phosphatase
Entity
ChEBI
Entity
standard state
Entity
organophosphate
Entity
Jmol
Entity