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CHEBI:194097 - (4-hydroxy-3,5-dinitrophenyl)acetic acid

ChEBI IDCHEBI:194097
ChEBI Name(4-hydroxy-3,5-dinitrophenyl)acetic acid
Stars
DefinitionA member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group is substituted by nitro, hydroxy and nitro groups at positions 3, 4 and 5 respectively.
Last Modified10 November 2022
SubmitterAdnan
DownloadsMolfile
FormulaC8H6N2O7
Net Charge0
Average Mass242.143
Monoisotopic Mass242.01750
SMILESO=C(O)Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6N2O7/c11-7(12)3-4-1-5(9(14)15)8(13)6(2-4)10(16)17/h1-2,13H,3H2,(H,11,12)
InChIKeyMLVYQQLUGFSXQH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Salegentibacter sp. T436 (ncbitaxon:1729720) - PubMed (17551208)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
(4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097) has role bacterial metabolite (CHEBI:76969)
(4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097) has role hapten (CHEBI:59174)
(4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097) has role marine metabolite (CHEBI:76507)
(4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097) is a dinitrophenol (CHEBI:39352)
(4-hydroxy-3,5-dinitrophenyl)acetic acid (CHEBI:194097) is a phenylacetic acids (CHEBI:25978)
IUPAC Name 
(4-hydroxy-3,5-dinitrophenyl)acetic acid
Synonyms  Source
4-hydroxy-3,5-dinitrobenzeneacetic acidChemIDplus
2-(4-hydroxy-3,5-dinitrophenyl)acetic acidChEBI
4-hydroxy-3,5-dinitrophenylacetic acidChEBI
3,5-dinitro-4-hydroxyphenacetic acidChEBI
3,5-dinitro-4-hydroxyphenylacetic acidChEBI
Registry NumbersSources
CAS:10463-37-3ChemIDplus
Citations