EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:163789 - Thr-Cys-Lys

Default Structure
ChEBI IDCHEBI:163789
ChEBI NameThr-Cys-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H26N4O5S
Net Charge0
Average Mass350.441
Monoisotopic Mass350.16239
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C13H26N4O5S/c1-7(18)10(15)12(20)17-9(6-23)11(19)16-8(13(21)22)4-2-3-5-14/h7-10,18,23H,2-6,14-15H2,1H3,(H,16,19)(H,17,20)(H,21,22)/t7-,8+,9+,10+/m1/s1
InChIKeyYAAPRMFURSENOZ-KATARQTJSA-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)
Thr-Cys-Lys (CHEBI:163789) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulanylpropanoyl]amino]hexanoic acid
Manual XrefsDatabases
16574653ChemSpider