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CHEBI:78249 - oxythiamine(1+)

ChEBI IDCHEBI:78249
ChEBI Nameoxythiamine(1+)
Stars
DefinitionA 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.
Last Modified13 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC12H16N3O2S
Net Charge+1
Average Mass266.346
Monoisotopic Mass266.09577
SMILESCc1ncc(C[n+]2csc(CCO)c2C)c(O)n1
InChIInChI=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
InChIKeySRDGSXVLAVRBLU-UHFFFAOYSA-O
Roles Classification
Biological Roles:
vitamin B1 antagonist  An antagonist which acts by inhibiting the action of vitamin B1
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonyms  Source
oxythiamineChEBI
HydroxythiamineChemIDplus
Registry NumbersSources
Reaxys:4153910Reaxys
CAS:136-16-3ChemIDplus
Citations