CHEBI:58217 - pentachlorophenolate

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ChEBI Name pentachlorophenolate ChEBI ID CHEBI:58217 Definition A phenolate anion that is the conjugate base of pentachlorophenol; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6Cl5O Net Charge -1 Average Mass 265.32900 Monoisotopic Mass 262.83973 InChI InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/p-1 InChIKey IZUPBVBPLAPZRR-UHFFFAOYSA-M SMILES [O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 pentachlorophenol (CHEBI:17642) is conjugate acid of pentachlorophenolate (CHEBI:58217) Synonyms Sources 2,3,4,5,6-pentachlorobenzen-1-olate ChEBI pentachlorophenol UniProt pentachlorophenolate ChEBI pentachlorophenolate anion ChEBI pentachlorophenolate(1−) ChEBI pentachlorophenoxide ChEBI Registry Number Type Source 3613001 Reaxys Registry Number Reaxys Citation Type Source 8680829 PubMed citation Europe PMC Last Modified 22 July 2015