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CHEBI:161691 - Phe-Lys-Ile

Default Structure
ChEBI IDCHEBI:161691
ChEBI NamePhe-Lys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34N4O4
Net Charge0
Average Mass406.527
Monoisotopic Mass406.25801
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C21H34N4O4/c1-3-14(2)18(21(28)29)25-20(27)17(11-7-8-12-22)24-19(26)16(23)13-15-9-5-4-6-10-15/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
InChIKeyZUQACJLOHYRVPJ-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)
Phe-Lys-Ile (CHEBI:161691) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid