EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160352 - Lys-Trp-Ile

ChEBI IDCHEBI:160352
ChEBI NameLys-Trp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35N5O4
Net Charge0
Average Mass445.564
Monoisotopic Mass445.26890
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)O
InChIInChI=1S/C23H35N5O4/c1-3-14(2)20(23(31)32)28-22(30)19(27-21(29)17(25)9-6-7-11-24)12-15-13-26-18-10-5-4-8-16(15)18/h4-5,8,10,13-14,17,19-20,26H,3,6-7,9,11-12,24-25H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)/t14-,17-,19-,20-/m0/s1
InChIKeyZJSXCIMWLPSTMG-HSCHXYMDSA-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)
Lys-Trp-Ile (CHEBI:160352) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid