CHEBI:18338 - thiamine(1+) monophosphate chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thiamine(1+) monophosphate chloride
ChEBI ID CHEBI:18338
Definition An organic chloride salt of thiamine(1+) monophosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26944
Supplier Information
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Formula C12H18ClN4O4PS
Net Charge 0
Average Mass 380.78834
Monoisotopic Mass 380.047
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
InChIKey GUGWNSHJDUEHNJ-UHFFFAOYSA-N
SMILES [Cl-].Cc1ncc(C[n+]2csc(CCOP(O)(O)=O)c2C)c(N)n1
ChEBI Ontology
Outgoing thiamine(1+) monophosphate chloride (CHEBI:18338) has part thiamine(1+) monophosphate (CHEBI:9533)
thiamine(1+) monophosphate chloride (CHEBI:18338) is a organic chloride salt (CHEBI:36094)
thiamine(1+) monophosphate chloride (CHEBI:18338) is a thiamine phosphate (CHEBI:26945)
IUPAC Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride
INNs Sources
monofosfotiamina ChemIDplus
monophosphothiamine ChemIDplus
monophosphothiaminum ChemIDplus
Synonyms Sources
monophosphoric ester of thiamine ChemIDplus
Thiamin dihydrogenphosphatchlorid ChemIDplus
thiamine monophosphate chloride ChemIDplus
vitamin B1 monophosphate ChemIDplus
vitamin B1 phosphate ChemIDplus
Database Link Database
DB03416 DrugBank
View more database links
Registry Numbers Types Sources
1107622 Gmelin Registry Number Gmelin
3844977 Beilstein Registry Number Beilstein
3844977 Reaxys Registry Number Reaxys
532-40-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22536244 PubMed citation Europe PMC
5734623 PubMed citation Europe PMC
Last Modified
16 June 2014