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CHEBI:131950 - 2-aminobenzoylacetic acid

ChEBI IDCHEBI:131950
ChEBI Name2-aminobenzoylacetic acid
Stars
DefinitionA 3-oxo monocarboxylic acid that is benzoylacetic acid substituted at position 2 on the benzene ring by an amino group.
Last Modified18 May 2016
SubmitterSteve
DownloadsMolfile
FormulaC9H9NO3
Net Charge0
Average Mass179.175
Monoisotopic Mass179.05824
SMILESNc1ccccc1C(=O)CC(=O)O
InChIInChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13)
InChIKeyPOAXUNDIOGWQOC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287) - PubMed (25960261)
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:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-aminobenzoylacetic acid (CHEBI:131950) has functional parent 3-phenylpropionic acid (CHEBI:28631)
2-aminobenzoylacetic acid (CHEBI:131950) has role bacterial metabolite (CHEBI:76969)
2-aminobenzoylacetic acid (CHEBI:131950) is a 3-oxo monocarboxylic acid (CHEBI:47881)
2-aminobenzoylacetic acid (CHEBI:131950) is a substituted aniline (CHEBI:48975)
2-aminobenzoylacetic acid (CHEBI:131950) is conjugate acid of 2-aminobenzoylacetate (CHEBI:131446)
Incoming Relation(s)
2-aminobenzoylacetate (CHEBI:131446) is conjugate base of 2-aminobenzoylacetic acid (CHEBI:131950)
IUPAC Name 
3-(2-aminophenyl)-3-oxopropanoic acid
Registry NumbersSources
Reaxys:3259227Reaxys
Citations