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CHEBI:58217 - pentachlorophenolate

ChEBI IDCHEBI:58217
ChEBI Namepentachlorophenolate
Stars
DefinitionA phenolate anion that is the conjugate base of pentachlorophenol; major species at pH 7.3.
Last Modified22 July 2015
DownloadsMolfile
FormulaC6Cl5O
Net Charge-1
Average Mass265.330
Monoisotopic Mass262.83973
SMILES[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/p-1
InChIKeyIZUPBVBPLAPZRR-UHFFFAOYSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
pentachlorophenolate (CHEBI:58217) has role human xenobiotic metabolite (CHEBI:76967)
pentachlorophenolate (CHEBI:58217) is a phenolate anion (CHEBI:50525)
pentachlorophenolate (CHEBI:58217) is conjugate base of pentachlorophenol (CHEBI:17642)
Incoming Relation(s)
pentachlorophenol (CHEBI:17642) is conjugate acid of pentachlorophenolate (CHEBI:58217)
Synonyms  Source
2,3,4,5,6-pentachlorobenzen-1-olateChEBI
pentachlorophenolateChEBI
pentachlorophenolate(1−)ChEBI
pentachlorophenolate anionChEBI
pentachlorophenoxideChEBI
UniProt Name  Source
pentachlorophenolUniProt
Registry NumbersSources
Reaxys:3613001Reaxys
Citations