EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161501 - Cys-Lys-Ala

ChEBI IDCHEBI:161501
ChEBI NameCys-Lys-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H24N4O4S
Net Charge0
Average Mass320.415
Monoisotopic Mass320.15183
SMILESC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C12H24N4O4S/c1-7(12(19)20)15-11(18)9(4-2-3-5-13)16-10(17)8(14)6-21/h7-9,21H,2-6,13-14H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t7-,8-,9-/m0/s1
InChIKeyOZHXXYOHPLLLMI-CIUDSAMLSA-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-Ala (CHEBI:161501) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]hexanoyl]amino]propanoic acid