EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161479 - Phe-Glu-Asp

ChEBI IDCHEBI:161479
ChEBI NamePhe-Glu-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N3O8
Net Charge0
Average Mass409.395
Monoisotopic Mass409.14851
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C18H23N3O8/c19-11(8-10-4-2-1-3-5-10)16(26)20-12(6-7-14(22)23)17(27)21-13(18(28)29)9-15(24)25/h1-5,11-13H,6-9,19H2,(H,20,26)(H,21,27)(H,22,23)(H,24,25)(H,28,29)/t11-,12-,13-/m0/s1
InChIKeyMPFGIYLYWUCSJG-AVGNSLFASA-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-Glu-Asp (CHEBI:161479) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
Manual XrefsDatabases
8398694ChemSpider