thiamine(1+) chloride (CHEBI:33283)

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ChEBI Name	thiamine(1+) chloride

ChEBI ID	CHEBI:33283

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C12H17ClN4OS

Net Charge

Average Mass

300.80844

Monoisotopic Mass

300.08116

InChI

InChI=1S/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1

InChIKey

MYVIATVLJGTBFV-UHFFFAOYSA-M

SMILES

[Cl-].Cc1ncc(C[n+]2csc(CCO)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 )

ChEBI Ontology
Outgoing	thiamine(1+) chloride (CHEBI:33283) has part thiamine(1+) (CHEBI:18385) thiamine(1+) chloride (CHEBI:33283) is a organic chloride salt (CHEBI:36094) thiamine(1+) chloride (CHEBI:33283) is a vitamin B₁ (CHEBI:26948)

IUPAC Name

3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride

Synonyms	Sources
3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride	ChemIDplus
Thiamin	ChemIDplus
thiamine chloride	DrugBank
thiamine monochloride	ChemIDplus
vitamin B₁	ChemIDplus

Last Modified

15 July 2021