CHEBI:18338 - thiamine(1+) monophosphate chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thiamine(1+) monophosphate chloride
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
Download Molfile XML SDF
Formula C12H18ClN4O4PS
Net Charge 0
Average Mass 380.78834
Monoisotopic Mass 380.04749
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
SMILES [Cl-].Cc1ncc(C[n+]2csc(CCOP(O)(O)=O)c2C)c(N)n1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): water-soluble vitamin (role)
Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
(via B vitamin )
Application(s): nutraceutical
A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
(via B vitamin )
View more via ChEBI Ontology
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 vitamin B1 (CHEBI:26948)
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride
INNs Sources
monofosfotiamina WHO MedNet
monophosphothiamine WHO MedNet
monophosphothiamine WHO MedNet
monophosphothiaminum WHO MedNet
Synonyms Sources
monophosphoric ester of thiamine ChemIDplus
Thiamin dihydrogenphosphatchlorid ChemIDplus
thiamine monophosphate chloride ChemIDplus
vitamin B1 monophosphate chloride ChemIDplus
vitamin B1 phosphate chloride ChemIDplus
Manual Xrefs Databases
10307 ChemSpider
DB16023 DrugBank
View more database links
Registry Numbers Types Sources
1107622 Gmelin Registry Number Gmelin
3844977 Reaxys Registry Number Reaxys
3844977 Beilstein Registry Number Beilstein
532-40-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22536244 PubMed citation Europe PMC
2557561 PubMed citation Europe PMC
5734623 PubMed citation Europe PMC
Last Modified
19 July 2021