CHEBI:131950 - 2-aminobenzoylacetic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-aminobenzoylacetic acid ChEBI ID CHEBI:131950 Definition A 3-oxo monocarboxylic acid that is benzoylacetic acid substituted at position 2 on the benzene ring by an amino group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H9NO3 Net Charge 0 Average Mass 179.173 Monoisotopic Mass 179.05824 InChI InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13) InChIKey POAXUNDIOGWQOC-UHFFFAOYSA-N SMILES C=1(C(=CC=CC1)N)C(CC(O)=O)=O Metabolite of Species Details Pseudomonas aeruginosa (NCBI:txid287) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 2-aminobenzoylacetate (CHEBI:131446) is conjugate base of 2-aminobenzoylacetic acid (CHEBI:131950) IUPAC Name 3-(2-aminophenyl)-3-oxopropanoic acid Registry Number Type Source 3259227 Reaxys Registry Number Reaxys Citation Type Source 25960261 PubMed citation Europe PMC Last Modified 18 May 2016