EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84561 - 2,4-dinitrophenol(1−)

ChEBI IDCHEBI:84561
ChEBI Name2,4-dinitrophenol(1−)
Stars
ASCII Name2,4-dinitrophenol(1-)
DefinitionA phenolate anion obtained from 2,4-dinitrophenol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC6H3N2O5
Net Charge-1
Average Mass183.099
Monoisotopic Mass183.00474
SMILESO=[N+]([O-])c1ccc([O-])c([N+](=O)[O-])c1
InChIInChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H/p-1
InChIKeyUFBJCMHMOXMLKC-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Nocardioides sp. (ncbitaxon:35761) - PubMed (25281383) Strain: JS1661
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,4-dinitrophenol(1−) (CHEBI:84561) has role bacterial xenobiotic metabolite (CHEBI:76976)
2,4-dinitrophenol(1−) (CHEBI:84561) is a phenolate anion (CHEBI:50525)
2,4-dinitrophenol(1−) (CHEBI:84561) is conjugate base of 2,4-dinitrophenol (CHEBI:42017)
Incoming Relation(s)
2,4-dinitrophenol (CHEBI:42017) is conjugate acid of 2,4-dinitrophenol(1−) (CHEBI:84561)
IUPAC Name 
2,4-dinitrophenolate
Synonym  Source
2,4-Dinitrophenol ion(1-)ChemIDplus
UniProt Name  Source
2,4-dinitrophenolUniProt
Manual XrefsDatabases
CPD-8179MetaCyc
Registry NumbersSources
Reaxys:3552508Reaxys
CAS:20350-26-9ChemIDplus
Citations