EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160368 - Lys-Trp-Trp

Default Structure
ChEBI IDCHEBI:160368
ChEBI NameLys-Trp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34N6O4
Net Charge0
Average Mass518.618
Monoisotopic Mass518.26415
SMILESNCCCC[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C28H34N6O4/c29-12-6-5-9-21(30)26(35)33-24(13-17-15-31-22-10-3-1-7-19(17)22)27(36)34-25(28(37)38)14-18-16-32-23-11-4-2-8-20(18)23/h1-4,7-8,10-11,15-16,21,24-25,31-32H,5-6,9,12-14,29-30H2,(H,33,35)(H,34,36)(H,37,38)/t21-,24-,25-/m0/s1
InChIKeyOPJRECCCQSDDCZ-TUSQITKMSA-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-Trp (CHEBI:160368) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid