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CHEBI:144865 - 6-chloropyridine-2,3,5-triol

ChEBI IDCHEBI:144865
ChEBI Name6-chloropyridine-2,3,5-triol
Stars
DefinitionA hydroxypyridine that is pyridine substituted by hydroxy groups at positions 2,3 and 5 and a chloro group at position 6. It is a metabolite of the agrochemical chlorpyrifos.
Last Modified18 September 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC5H4ClNO3
Net Charge0
Average Mass161.544
Monoisotopic Mass160.98797
SMILESOc1cc(O)c(Cl)nc1O
InChIInChI=1S/C5H4ClNO3/c6-4-2(8)1-3(9)5(10)7-4/h1,8-9H,(H,7,10)
InChIKeyYBXJGUPODIBASS-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
6-chloropyridine-2,3,5-triol (CHEBI:144865) has role bacterial xenobiotic metabolite (CHEBI:76976)
6-chloropyridine-2,3,5-triol (CHEBI:144865) is a chloropyridine (CHEBI:39173)
6-chloropyridine-2,3,5-triol (CHEBI:144865) is a hydroxypyridine (CHEBI:24745)
IUPAC Name 
6-chloropyridine-2,3,5-triol
UniProt Name  Source
6-chloropyridine-2,3,5-triolUniProt
Manual XrefsDatabases
CPD-22342MetaCyc
Citations