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CHEBI:131446 - 2-aminobenzoylacetate

ChEBI IDCHEBI:131446
ChEBI Name2-aminobenzoylacetate
Stars
DefinitionA 3-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of 2-aminobenzoylacetic acid; major species at pH 7.3.
Last Modified16 May 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H8NO3
Net Charge-1
Average Mass178.167
Monoisotopic Mass178.05097
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)/p-1
InChIKeyPOAXUNDIOGWQOC-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
2-aminobenzoylacetic acid (CHEBI:131950) is conjugate acid of 2-aminobenzoylacetate (CHEBI:131446)
IUPAC Name 
3-(2-aminophenyl)-3-oxopropanoate
UniProt Name  Source
(2-aminobenzoyl)acetateUniProt
Manual XrefsDatabases
CPD-19114MetaCyc
Citations