EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:27981 - 3,5-dinitro-4-hydroxyphenylpyruvic acid

ChEBI IDCHEBI:27981
ChEBI Name3,5-dinitro-4-hydroxyphenylpyruvic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,5-dinitro-4-hydroxyphenyl group.
Secondary ChEBI IDsCHEBI:1407, CHEBI:19910
Last Modified18 February 2011
DownloadsMolfile
FormulaC9H6N2O8
Net Charge0
Average Mass270.153
Monoisotopic Mass270.01242
SMILESO=C(O)C(=O)Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H6N2O8/c12-7(9(14)15)3-4-1-5(10(16)17)8(13)6(2-4)11(18)19/h1-2,13H,3H2,(H,14,15)
InChIKeyAIXYOVZVCBPJAR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,5-dinitro-4-hydroxyphenylpyruvic acid (CHEBI:27981) has functional parent 2,6-dinitrophenol (CHEBI:39357)
3,5-dinitro-4-hydroxyphenylpyruvic acid (CHEBI:27981) has functional parent pyruvic acid (CHEBI:32816)
3,5-dinitro-4-hydroxyphenylpyruvic acid (CHEBI:27981) is a C-nitro compound (CHEBI:35716)
3,5-dinitro-4-hydroxyphenylpyruvic acid (CHEBI:27981) is a 2-oxo monocarboxylic acid (CHEBI:35910)
3,5-dinitro-4-hydroxyphenylpyruvic acid (CHEBI:27981) is a phenols (CHEBI:33853)
IUPAC Name 
3-(4-hydroxy-3,5-dinitrophenyl)-2-oxopropanoic acid
Synonym  Source
3-(4-hydroxy-3,5-dinitrophenyl)-2-oxopropionic acidChEBI
Manual XrefsDatabases
C04286KEGG COMPOUND