EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161536 - Cys-Lys-Trp

ChEBI IDCHEBI:161536
ChEBI NameCys-Lys-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29N5O4S
Net Charge0
Average Mass435.550
Monoisotopic Mass435.19403
SMILESNCCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H29N5O4S/c21-8-4-3-7-16(24-18(26)14(22)11-30)19(27)25-17(20(28)29)9-12-10-23-15-6-2-1-5-13(12)15/h1-2,5-6,10,14,16-17,23,30H,3-4,7-9,11,21-22H2,(H,24,26)(H,25,27)(H,28,29)/t14-,16-,17-/m0/s1
InChIKeyCWHKESLHINPNBX-XIRDDKMYSA-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)
Cys-Lys-Trp (CHEBI:161536) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid