EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164048 - Thr-Lys-Ala

ChEBI IDCHEBI:164048
ChEBI NameThr-Lys-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H26N4O5
Net Charge0
Average Mass318.374
Monoisotopic Mass318.19032
SMILESC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C13H26N4O5/c1-7(13(21)22)16-11(19)9(5-3-4-6-14)17-12(20)10(15)8(2)18/h7-10,18H,3-6,14-15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)/t7-,8+,9-,10-/m0/s1
InChIKeyKRDSCBLRHORMRK-JXUBOQSCSA-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-Lys-Ala (CHEBI:164048) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]propanoic acid