EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158349 - Ala-Lys-Phe

ChEBI IDCHEBI:158349
ChEBI NameAla-Lys-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28N4O4
Net Charge0
Average Mass364.446
Monoisotopic Mass364.21106
SMILESC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H28N4O4/c1-12(20)16(23)21-14(9-5-6-10-19)17(24)22-15(18(25)26)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,19-20H2,1H3,(H,21,23)(H,22,24)(H,25,26)/t12-,14-,15-/m0/s1
InChIKeyBLTRAARCJYVJKV-QEJZJMRPSA-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)
Ala-Lys-Phe (CHEBI:158349) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid