CHEBI:16836 - 4-nitrophenol

ChEBI IDCHEBI:16836
ChEBI Name4-nitrophenol
Stars
DefinitionA member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.
Secondary ChEBI IDsCHEBI:1913, CHEBI:12034, CHEBI:20457, CHEBI:44390
Last Modified13 March 2018
DownloadsMolfile
FormulaC6H5NO3
Net Charge0
Average Mass139.110
Monoisotopic Mass139.02694
SMILESO=[N+]([O-])c1ccc(O)cc1
InChIInChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKeyBTJIUGUIPKRLHP-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)
1,2-epoxy-3-(4-nitrophenoxy)propane (CHEBI:508) 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 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 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)
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)
8-methyl-8-azoniabicyclo[3.2.1]octyl 4-nitrophenyl phenylphosphonate (CHEBI:78219) has functional parent 4-nitrophenol (CHEBI:16836)
bis-4-nitrophenyl phosphate (CHEBI:3122) has functional parent 4-nitrophenol (CHEBI:16836)
bis(p-nitrophenyl)phosphocholine (CHEBI:90251) 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  Source
4-NitrophenolKEGG COMPOUND
p-NitrophenolKEGG COMPOUND
PNPKEGG COMPOUND
NiphenKEGG COMPOUND
4-HydroxynitrobenzeneKEGG COMPOUND
paranitrophenolChemIDplus
Manual XrefsDatabases
C00870KEGG COMPOUND
c0086UM-BBD
NPOPDBeChem
DB04417DrugBank
P-NITROPHENOLMetaCyc
4-NitrophenolWikipedia
HMDB0001232HMDB
Registry NumbersSources
Gmelin:3311Gmelin
Reaxys:1281877Reaxys
CAS:100-02-7KEGG COMPOUND
CAS:100-02-7ChemIDplus
CAS:100-02-7NIST Chemistry WebBook
Citations