CHEBI:50526 - phenolate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name phenolate
ChEBI ID CHEBI:50526
Definition A phenolate anion that is the conjugate base of phenol obtained by deprotonation of the OH group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H5O
Net Charge -1
Average Mass 93.10330
Monoisotopic Mass 93.03459
InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/p-1
InChIKey ISWSIDIOOBJBQZ-UHFFFAOYSA-M
SMILES [O-]c1ccccc1
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 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 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 Sources
Phenol ion ChemIDplus
phenoxide anion NIST Chemistry WebBook
Phenoxy ion ChemIDplus
Registry Numbers Types Sources
2793 Gmelin Registry Number Gmelin
3229-70-7 CAS Registry Number NIST Chemistry WebBook
3229-70-7 CAS Registry Number ChemIDplus
3587965 Beilstein Registry Number Beilstein
Last Modified
24 June 2014