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CHEBI:57917 - 4-nitrophenolate
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ChEBI Ontology
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ChEBI Name
4-nitrophenolate
ChEBI ID
CHEBI:57917
Definition
A phenolate anion that is the conjugate base of 4-nitrophenol; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C6H4NO3
Net Charge
-1
Average Mass
138.10140
Monoisotopic Mass
138.01967
InChI
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/p-1
InChIKey
BTJIUGUIPKRLHP-UHFFFAOYSA-M
SMILES
[O-]c1ccc(cc1)[N+]([O-])=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
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
4-nitrophenolate (
CHEBI:57917
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
4-nitrophenolate (
CHEBI:57917
)
is a
phenolate anion (
CHEBI:50525
)
4-nitrophenolate (
CHEBI:57917
)
is conjugate base of
4-nitrophenol (
CHEBI:16836
)
Incoming
4-nitrophenol (
CHEBI:16836
)
is conjugate acid of
4-nitrophenolate (
CHEBI:57917
)
IUPAC Name
4-nitrophenolate
Synonyms
Sources
4-nitrobenzen-1-olate
ChEBI
4-nitrophenol
UniProt
4-nitrophenolate anion
ChEBI
4-nitrophenolate(1−)
ChEBI
p
-nitrophenolate
ChEBI
p
-nitrophenolate anion
ChEBI
p
-nitrophenolate ion
ChEBI
p
-nitrophenolate(1−)
ChEBI
Registry Numbers
Types
Sources
3310
Gmelin Registry Number
Gmelin
3589511
Beilstein Registry Number
Beilstein
Last Modified
24 November 2014