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> Main
CHEBI:16836 - 4-nitrophenol
Main
ChEBI Ontology
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ChEBI Name
4-nitrophenol
ChEBI ID
CHEBI:16836
Definition
A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is
para
to the hydroxy group has been replaced by a nitro group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:44390, CHEBI:1913, CHEBI:12034, CHEBI:20457
Supplier Information
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Wikipedia
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Read full article at Wikipedia
Formula
C6H5NO3
Net Charge
0
Average Mass
139.10880
Monoisotopic Mass
139.02694
InChI
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKey
BTJIUGUIPKRLHP-UHFFFAOYSA-N
SMILES
Oc1ccc(cc1)[N+]([O-])=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-nitrophenol (
CHEBI:16836
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
4-nitrophenol (
CHEBI:16836
)
has role
mouse metabolite (
CHEBI:75771
)
4-nitrophenol (
CHEBI:16836
)
is a
4-nitrophenols (
CHEBI:88306
)
4-nitrophenol (
CHEBI:16836
)
is conjugate acid of
4-nitrophenolate (
CHEBI:57917
)
Incoming
1,2-epoxy-3-(4-nitrophenoxy)propane (
CHEBI:508
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl α-
D
-glucoside (
CHEBI:91122
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl α-
D
-xyloside (
CHEBI:90136
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl α-
L
-arabinoside (
CHEBI:90133
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl α-
L
-fucoside (
CHEBI:90253
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl β-
D
-glucoside (
CHEBI:90259
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl β-
D
-glucuronide (
CHEBI:90146
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl β-
D
-xyloside (
CHEBI:90148
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl β-
L
-fucoside (
CHEBI:90255
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl β-lactoside (
CHEBI:90260
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl 1-naphthoate (
CHEBI:131343
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl 6-
O
-phosphono-β-
D
-galactoside (
CHEBI:90128
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl
N
-acetyl-α-
D
-glucosaminide (
CHEBI:90341
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl
N
-acetyl-β-
D
-glucosaminide (
CHEBI:90343
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl acetate (
CHEBI:82635
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl hydrogen sulfate (
CHEBI:35422
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl phosphate (
CHEBI:17440
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl phthalimidoacetate (
CHEBI:75058
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl sulfate (
CHEBI:140994
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
8-methyl-8-azoniabicyclo[3.2.1]octyl 4-nitrophenyl phenylphosphonate (
CHEBI:78219
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
p
-nitrophenyl butyrate (
CHEBI:85867
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
p
-nitrophenyl palmitate (
CHEBI:85645
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
p
-nitrophenyl phenyl phosphonate (
CHEBI:91050
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
bis(
p
-nitrophenyl)phosphocholine (
CHEBI:90251
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
bis-4-nitrophenyl phosphate (
CHEBI:3122
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
Boc-Asn-OPhNO2 (
CHEBI:3147
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
parathion (
CHEBI:27928
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
parathion-methyl (
CHEBI:38746
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenolate (
CHEBI:57917
)
is conjugate base of
4-nitrophenol (
CHEBI:16836
)
IUPAC Name
4-nitrophenol
Synonyms
Sources
4-Hydroxynitrobenzene
KEGG COMPOUND
4-Nitrophenol
KEGG COMPOUND
Niphen
KEGG COMPOUND
p
-hydroxynitrobenzene
ChemIDplus
p-Nitrophenol
KEGG COMPOUND
P-NITROPHENOL
PDBeChem
paranitrophenol
ChemIDplus
PNP
KEGG COMPOUND
Manual Xrefs
Databases
4-Nitrophenol
Wikipedia
c0086
UM-BBD
C00870
KEGG COMPOUND
DB04417
DrugBank
HMDB0001232
HMDB
NPO
PDBeChem
P-NITROPHENOL
MetaCyc
View more database links
Registry Numbers
Types
Sources
100-02-7
CAS Registry Number
ChemIDplus
100-02-7
CAS Registry Number
NIST Chemistry WebBook
1281877
Reaxys Registry Number
Reaxys
1281877
Beilstein Registry Number
Beilstein
3311
Gmelin Registry Number
Gmelin
Citation
Type
Source
19365648
PubMed citation
Europe PMC
Last Modified
13 March 2018