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CHEBI:65083 - 4-deoxypyridoxine

ChEBI IDCHEBI:65083
ChEBI Name4-deoxypyridoxine
Stars
DefinitionA pyridine ring substituted with methyl groups at positions 2 and 4, a hydroxyl at position 3, and a hydroxymethyl group at position 5.
Last Modified19 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC8H11NO2
Net Charge0
Average Mass153.181
Monoisotopic Mass153.07898
SMILESCc1ncc(CO)c(C)c1O
InChIInChI=1S/C8H11NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,10-11H,4H2,1-2H3
InChIKeyKKOWAYISKWGDBG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4-deoxypyridoxine (CHEBI:65083) has role metabolite (CHEBI:25212)
4-deoxypyridoxine (CHEBI:65083) is a hydroxymethylpyridine (CHEBI:38196)
4-deoxypyridoxine (CHEBI:65083) is a methylpyridines (CHEBI:25340)
4-deoxypyridoxine (CHEBI:65083) is a monohydroxypyridine (CHEBI:38182)
IUPAC Name 
5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol
Synonyms  Source
4-deoxypyridoxolMetaCyc
4-DeoxypyridoxalChEBI
Manual XrefsDatabases
4-DeoxypyridoxineWikipedia
CPD0-1605MetaCyc
Registry NumbersSources
Reaxys:128029Reaxys
CAS:61-67-6ChemIDplus
Citations