EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158672 - Ile-Phe-Lys

ChEBI IDCHEBI:158672
ChEBI NameIle-Phe-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34N4O4
Net Charge0
Average Mass406.527
Monoisotopic Mass406.25801
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C21H34N4O4/c1-3-14(2)18(23)20(27)25-17(13-15-9-5-4-6-10-15)19(26)24-16(21(28)29)11-7-8-12-22/h4-6,9-10,14,16-18H,3,7-8,11-13,22-23H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/t14-,16-,17-,18-/m0/s1
InChIKeyLRAUKBMYHHNADU-DKIMLUQUSA-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)
Ile-Phe-Lys (CHEBI:158672) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
Manual XrefsDatabases
16572143ChemSpider