EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:93801 - 3-(1H-indol-3-yl)-2-[[1-oxo-3-(2-pyridinyl)prop-2-enyl]amino]propanoic acid

ChEBI IDCHEBI:93801
ChEBI Name3-(1H-indol-3-yl)-2-[[1-oxo-3-(2-pyridinyl)prop-2-enyl]amino]propanoic acid
Stars
DownloadsMolfile
FormulaC19H17N3O3
Net Charge0
Average Mass335.363
Monoisotopic Mass335.12699
SMILESO=C(C=Cc1ccccn1)NC(Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C19H17N3O3/c23-18(9-8-14-5-3-4-10-20-14)22-17(19(24)25)11-13-12-21-16-7-2-1-6-15(13)16/h1-10,12,17,21H,11H2,(H,22,23)(H,24,25)
InChIKeyUIMTZSFVAUUJNX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(1H-indol-3-yl)-2-[[1-oxo-3-(2-pyridinyl)prop-2-enyl]amino]propanoic acid (CHEBI:93801) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
LSM-4325LINCS