oxythiamine(1+) (CHEBI:78249)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	oxythiamine(1+)

ChEBI ID	CHEBI:78249

Definition	A 1,3-thiazolium cation that is 5-(2-hydroxyethyl)-4-methyl-1,3-thiazole alkylated at the N3 position by a (2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C12H16N3O2S

Net Charge

Average Mass

266.33900

Monoisotopic Mass

266.09577

InChI

InChI=1S/C12H15N3O2S/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17/h5,7,16H,3-4,6H2,1-2H3/p+1

InChIKey

SRDGSXVLAVRBLU-UHFFFAOYSA-O

SMILES

Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1O

Roles Classification
Biological Role(s):	antimetabolite A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization. vitamin B1 antagonist An antagonist which acts by inhibiting the action of vitamin B1

ChEBI Ontology
Outgoing	oxythiamine(1+) (CHEBI:78249) has role antimetabolite (CHEBI:35221) oxythiamine(1+) (CHEBI:78249) has role vitamin B₁ antagonist (CHEBI:78248) oxythiamine(1+) (CHEBI:78249) is a 1,3-thiazolium cation (CHEBI:63048)

Incoming	oxythiamine chloride (CHEBI:78246) has part oxythiamine(1+) (CHEBI:78249)

IUPAC Name

5-(2-hydroxyethyl)-4-methyl-3-[(2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium

Last Modified

13 October 2014