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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50526 - phenolate
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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.
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This entity has been manually annotated by the ChEBI Team.
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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-[(2
E
,6
E
)-farnesyl]-6-(pyridin-3-yl)-2
H
-pyran-4-olate (
CHEBI:149708
)
is a
phenolate (
CHEBI:50526
)
2-oxo-3-[(8
S
)-epoxy-(2
E
,6
E
)-farnesyl]-6-(pyridin-3-yl)-2
H
-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-
C
8
-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