EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161403 - Cys-His-Lys

ChEBI IDCHEBI:161403
ChEBI NameCys-His-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26N6O4S
Net Charge0
Average Mass386.478
Monoisotopic Mass386.17362
SMILESNCCCC[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C15H26N6O4S/c16-4-2-1-3-11(15(24)25)20-14(23)12(5-9-6-18-8-19-9)21-13(22)10(17)7-26/h6,8,10-12,26H,1-5,7,16-17H2,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t10-,11-,12-/m0/s1
InChIKeyHAYVLBZZBDCKRA-SRVKXCTJSA-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-His-Lys (CHEBI:161403) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
Manual XrefsDatabases
16570128ChemSpider