EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161356 - Phe-Asp-Ala

ChEBI IDCHEBI:161356
ChEBI NamePhe-Asp-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21N3O6
Net Charge0
Average Mass351.359
Monoisotopic Mass351.14304
SMILESC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H21N3O6/c1-9(16(24)25)18-15(23)12(8-13(20)21)19-14(22)11(17)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,17H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,11-,12-/m0/s1
InChIKeyLDSOBEJVGGVWGD-DLOVCJGASA-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)
Phe-Asp-Ala (CHEBI:161356) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
24958684ChemSpider