CHEBI:131446 - 2-aminobenzoylacetate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-aminobenzoylacetate ChEBI ID CHEBI:131446 Definition A 3-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of 2-aminobenzoylacetic acid; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C9H8NO3 Net Charge -1 Average Mass 178.165 Monoisotopic Mass 178.05097 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)/p-1 InChIKey POAXUNDIOGWQOC-UHFFFAOYSA-M SMILES C=1(C(=CC=CC1)N)C(CC([O-])=O)=O ChEBI Ontology Outgoing 2-aminobenzoylacetate (CHEBI:131446) is a 3-oxo monocarboxylic acid anion (CHEBI:35973) 2-aminobenzoylacetate (CHEBI:131446) is conjugate base of 2-aminobenzoylacetic acid (CHEBI:131950) Incoming 2-aminobenzoylacetic acid (CHEBI:131950) is conjugate acid of 2-aminobenzoylacetate (CHEBI:131446) IUPAC Name 3-(2-aminophenyl)-3-oxopropanoate Synonym Source (2-aminobenzoyl)acetate UniProt Manual Xref Database CPD-19114 MetaCyc View more database links Citation Type Source 25960261 PubMed citation SUBMITTER Last Modified 16 May 2017