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CHEBI:17442 - 4-(2-aminophenyl)-2,4-dioxobutanoic acid

ChEBI IDCHEBI:17442
ChEBI Name4-(2-aminophenyl)-2,4-dioxobutanoic acid
Stars
Secondary ChEBI IDsCHEBI:1765, CHEBI:11931, CHEBI:11932, CHEBI:20286
Last Modified27 January 2016
DownloadsMolfile
FormulaC10H9NO4
Net Charge0
Average Mass207.185
Monoisotopic Mass207.05316
SMILESNc1ccccc1C(=O)CC(=O)C(=O)O
InChIInChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)
InChIKeyCAOVWYZQMPNAFJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
4-(2-aminophenyl)-2,4-dioxobutanoic acid (CHEBI:17442) has functional parent butyric acid (CHEBI:30772)
4-(2-aminophenyl)-2,4-dioxobutanoic acid (CHEBI:17442) has role mouse metabolite (CHEBI:75771)
4-(2-aminophenyl)-2,4-dioxobutanoic acid (CHEBI:17442) is a 2-oxo monocarboxylic acid (CHEBI:35910)
4-(2-aminophenyl)-2,4-dioxobutanoic acid (CHEBI:17442) is a 4-oxo monocarboxylic acid (CHEBI:35950)
4-(2-aminophenyl)-2,4-dioxobutanoic acid (CHEBI:17442) is a aromatic ketone (CHEBI:76224)
4-(2-aminophenyl)-2,4-dioxobutanoic acid (CHEBI:17442) is a dioxo monocarboxylic acid (CHEBI:35951)
4-(2-aminophenyl)-2,4-dioxobutanoic acid (CHEBI:17442) is a substituted aniline (CHEBI:48975)
4-(2-aminophenyl)-2,4-dioxobutanoic acid (CHEBI:17442) is a β-diketone (CHEBI:67265)
4-(2-aminophenyl)-2,4-dioxobutanoic acid (CHEBI:17442) is conjugate acid of 4-(2-aminophenyl)-2,4-dioxobutanoate (CHEBI:58147)
Incoming Relation(s)
4-(2-aminophenyl)-2,4-dioxobutanoate (CHEBI:58147) is conjugate base of 4-(2-aminophenyl)-2,4-dioxobutanoic acid (CHEBI:17442)
IUPAC Name 
4-(2-aminophenyl)-2,4-dioxobutanoic acid
Synonym  Source
4-(2-Aminophenyl)-2,4-dioxobutanoateKEGG COMPOUND
Manual XrefsDatabases
C01252KEGG COMPOUND
C01252KEGG COMPOUND