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CHEBI:50526 - phenolate

ChEBI IDCHEBI:50526
ChEBI Namephenolate
Stars
DefinitionA phenolate anion that is the conjugate base of phenol obtained by deprotonation of the OH group.
Last Modified24 June 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H5O
Net Charge-1
Average Mass93.105
Monoisotopic Mass93.03459
SMILES[O-]c1ccccc1
InChIInChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/p-1
InChIKeyISWSIDIOOBJBQZ-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)
phenolate (CHEBI:50526) has role human xenobiotic metabolite (CHEBI:76967)
phenolate (CHEBI:50526) is a phenolate anion (CHEBI:50525)
phenolate (CHEBI:50526) is conjugate base of phenol (CHEBI:15882)
Incoming Relation(s)
1,2,3,4,6-pentakis-O-galloyl-β-D-glucose(1−) (CHEBI:145902) is a phenolate (CHEBI:50526)
2-oxo-3-[(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate (CHEBI:149708) is a phenolate (CHEBI:50526)
2-oxo-3-[(8S)-epoxy-(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate (CHEBI:149709) is a phenolate (CHEBI:50526)
ilicicolin A epoxide(1−) (CHEBI:146155) is a phenolate (CHEBI:50526)
ilicicolin A(1−) (CHEBI:146154) is a phenolate (CHEBI:50526)
prunetin-C8-β-D-glucuronide(2−) (CHEBI:147407) is a phenolate (CHEBI:50526)
sodium phenolate (CHEBI:52476) is a phenolate (CHEBI:50526)
phenol (CHEBI:15882) is conjugate acid of phenolate (CHEBI:50526)
IUPAC Name 
phenolate
Synonyms  Source
Phenol ionChemIDplus
phenoxide anionNIST Chemistry WebBook
Phenoxy ionChemIDplus
Registry NumbersSources
Gmelin:2793Gmelin
Beilstein:3587965Beilstein
CAS:3229-70-7ChemIDplus
CAS:3229-70-7NIST Chemistry WebBook