CHEBI:33283 - thiamine(1+) chloride

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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 0
Average Mass 300.80844
Monoisotopic Mass 300.081
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
Biological Role(s): B vitamin
Any of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises vitamin B1, B2, B3, B5, B6, B7, B9, and B12. (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such.)
(via thiamine )
Application(s): B vitamin
Any of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises vitamin B1, B2, B3, B5, B6, B7, B9, and B12. (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such.)
(via thiamine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiamine(1+) chloride (CHEBI:33283) has part thiamine(1+) (CHEBI:18385)
thiamine(1+) chloride (CHEBI:33283) is a thiamine (CHEBI:26948)
IUPAC Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride
INNs Sources
thiamine WHO MedNet
thiamine ChemIDplus
thiaminum ChemIDplus
tiamina ChemIDplus
Synonyms Sources
3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride ChemIDplus
Thiamin ChemIDplus
thiamine monochloride ChemIDplus
vitamin B1 ChemIDplus
Database Link Database
Thiamine Wikipedia
View more database links
Registry Numbers Types Sources
318226 Gmelin Registry Number Gmelin
3581326 Beilstein Registry Number Beilstein
59-43-8 CAS Registry Number ChemIDplus
Last Modified
13 February 2015