CHEBI:84561 - 2,4-dinitrophenol(1−)

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ChEBI Name 2,4-dinitrophenol(1−)
ChEBI ID CHEBI:84561
ChEBI ASCII Name 2,4-dinitrophenol(1-)
Definition A phenolate anion obtained from 2,4-dinitrophenol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C6H3N2O5
Net Charge -1
Average Mass 183.09900
Monoisotopic Mass 183.00474
InChI InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H/p-1
InChIKey UFBJCMHMOXMLKC-UHFFFAOYSA-M
SMILES [O-]c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Metabolite of Species Details
Nocardioides sp. (NCBI:txid35761) of strain JS1661 See: PubMed
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
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ChEBI Ontology
Outgoing 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 2,4-dinitrophenol (CHEBI:42017) is conjugate acid of 2,4-dinitrophenol(1−) (CHEBI:84561)
IUPAC Name
2,4-dinitrophenolate
Synonyms Sources
2,4-dinitrophenol UniProt
2,4-Dinitrophenol ion(1-) ChemIDplus
Manual Xref Database
CPD-8179 MetaCyc
View more database links
Registry Numbers Types Sources
20350-26-9 CAS Registry Number ChemIDplus
3552508 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25281383 PubMed citation Europe PMC
Last Modified
10 April 2015