EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119804 - 3-(1H-indol-3-yl)-2-(4-oxopent-2-en-2-ylamino)propanoic acid

ChEBI IDCHEBI:119804
ChEBI Name3-(1H-indol-3-yl)-2-(4-oxopent-2-en-2-ylamino)propanoic acid
Stars
DownloadsMolfile
FormulaC16H18N2O3
Net Charge0
Average Mass286.331
Monoisotopic Mass286.13174
SMILESCC(=O)C=C(C)NC(Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-10(7-11(2)19)18-15(16(20)21)8-12-9-17-14-6-4-3-5-13(12)14/h3-7,9,15,17-18H,8H2,1-2H3,(H,20,21)
InChIKeyHEBNEQXWFBLWSC-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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-(4-oxopent-2-en-2-ylamino)propanoic acid (CHEBI:119804) is a α-amino acid (CHEBI:33704)
Manual XrefsDatabases
LSM-31248LINCS