CHEBI:16836 - 4-nitrophenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.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
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C6H5NO3
Net Charge 0
Average Mass 139.10880
Monoisotopic Mass 139.027
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:10090) 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)
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)
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
Database Links 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 Waiting for Citations Type Source
19365648 PubMed citation Europe PMC
Last Modified
28 July 2016