oxythiamine chloride (CHEBI:78246)

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ChEBI Name	oxythiamine chloride

ChEBI ID	CHEBI:78246

Definition	A organic chloride salt having oxythiamine as the counterion.

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

Supplier Information

Download	Molfile XML SDF

Formula

C12H16ClN3O2S

Net Charge

Average Mass

301.79200

Monoisotopic Mass

301.06518

InChI

InChI=1S/C12H15N3O2S.ClH/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;1H

InChIKey

RNUAEUWXRHCGKX-UHFFFAOYSA-N

SMILES

[Cl-].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 chloride (CHEBI:78246) has part oxythiamine(1+) (CHEBI:78249) oxythiamine chloride (CHEBI:78246) has role antimetabolite (CHEBI:35221) oxythiamine chloride (CHEBI:78246) has role vitamin B₁ antagonist (CHEBI:78248) oxythiamine chloride (CHEBI:78246) is a organic chloride salt (CHEBI:36094)

Incoming	oxythiamine chloride hydrochloride (CHEBI:78244) has part oxythiamine chloride (CHEBI:78246)

IUPAC Name

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

Last Modified

14 April 2014