EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158512 - Ile-Ile-Lys

ChEBI IDCHEBI:158512
ChEBI NameIle-Ile-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H36N4O4
Net Charge0
Average Mass372.510
Monoisotopic Mass372.27366
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC
InChIInChI=1S/C18H36N4O4/c1-5-11(3)14(20)16(23)22-15(12(4)6-2)17(24)21-13(18(25)26)9-7-8-10-19/h11-15H,5-10,19-20H2,1-4H3,(H,21,24)(H,22,23)(H,25,26)/t11-,12-,13-,14-,15-/m0/s1
InChIKeyCSQNHSGHAPRGPQ-YTFOTSKYSA-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-Ile-Lys (CHEBI:158512) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid
Manual XrefsDatabases
16572063ChemSpider