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CHEBI:144864 - 3,6-dichloropyridine-2,5-diol

ChEBI IDCHEBI:144864
ChEBI Name3,6-dichloropyridine-2,5-diol
Stars
DefinitionA hydroxypyridine that is pyridine substituted by hydroxy groups at positions 2 and 5 and chloro groups at positions 3 and 6. It is a metabolite of the agrochemical chlorpyrifos.
Last Modified23 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC5H3Cl2NO2
Net Charge0
Average Mass179.990
Monoisotopic Mass178.95408
SMILESOc1cc(Cl)c(O)nc1Cl
InChIInChI=1S/C5H3Cl2NO2/c6-2-1-3(9)4(7)8-5(2)10/h1,9H,(H,8,10)
InChIKeyNMDKZMIQHHSAFC-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)
3,6-dichloropyridine-2,5-diol (CHEBI:144864) has role bacterial xenobiotic metabolite (CHEBI:76976)
3,6-dichloropyridine-2,5-diol (CHEBI:144864) is a chloropyridine (CHEBI:39173)
3,6-dichloropyridine-2,5-diol (CHEBI:144864) is a hydroxypyridine (CHEBI:24745)
3,6-dichloropyridine-2,5-diol (CHEBI:144864) is conjugate acid of 3,6-dichloropyridine-2,5-diol(1−) (CHEBI:147301)
Incoming Relation(s)
3,6-dichloropyridine-2,5-diol(1−) (CHEBI:147301) is conjugate base of 3,6-dichloropyridine-2,5-diol (CHEBI:144864)
IUPAC Name 
3,6-dichloropyridine-2,5-diol
Synonym  Source
3,6-dichloro-2,5-dihydroxypyridineChEBI
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CPD-22341MetaCyc
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