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CHEBI:180899 - 3-(2-aminophenyl)-3-oxopropanal

ChEBI IDCHEBI:180899
ChEBI Name3-(2-aminophenyl)-3-oxopropanal
Stars
DefinitionProduct of the enzymatic deamination of kynuramine.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H9NO2
Net Charge0
Average Mass163.176
Monoisotopic Mass163.06333
SMILESNc1ccccc1C(=O)CC=O
InChIInChI=1S/C9H9NO2/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4,6H,5,10H2
InChIKeyIDWFMUPAEMSFNQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-(2-aminophenyl)-3-oxopropanal (CHEBI:180899) is a aldehyde (CHEBI:17478)
3-(2-aminophenyl)-3-oxopropanal (CHEBI:180899) is a aromatic ketone (CHEBI:76224)
3-(2-aminophenyl)-3-oxopropanal (CHEBI:180899) is a substituted aniline (CHEBI:48975)
UniProt Name  Source
3-(2-aminophenyl)-3-oxopropanalUniProt