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CHEBI:2124 - 5-pyridoxolactone

ChEBI IDCHEBI:2124
ChEBI Name5-pyridoxolactone
Stars
DefinitionA furopyridine that is furo[3,4-c]pyridin-3(1H)-one substituted by a hydroxy group at position 7 and a methoxy group at position 6. It is a metabolite of vitamin B6.
Last Modified31 October 2018
DownloadsMolfile
FormulaC8H7NO3
Net Charge0
Average Mass165.148
Monoisotopic Mass165.04259
SMILESCc1ncc2c(c1O)COC2=O
InChIInChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3
InChIKeyPPAXBSPBIWBREI-UHFFFAOYSA-N
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
5-pyridoxolactone (CHEBI:2124) has functional parent 5-pyridoxic acid (CHEBI:16409)
5-pyridoxolactone (CHEBI:2124) has role human urinary metabolite (CHEBI:84087)
5-pyridoxolactone (CHEBI:2124) has role human xenobiotic metabolite (CHEBI:76967)
5-pyridoxolactone (CHEBI:2124) is a furopyridine (CHEBI:38197)
5-pyridoxolactone (CHEBI:2124) is a lactone (CHEBI:25000)
5-pyridoxolactone (CHEBI:2124) is a phenols (CHEBI:33853)
IUPAC Name 
7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one
Synonyms  Source
5-PyridoxolactoneKEGG COMPOUND
5-pyridoxic acid lactoneChemIDplus
UniProt Name  Source
5-pyridoxolactoneUniProt
Manual XrefsDatabases
C06052KEGG COMPOUND
HMDB0004291HMDB
CPD-9028MetaCyc
Registry NumbersSources
Reaxys:140335Reaxys
CAS:4543-56-0ChemIDplus
Citations