EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160729 - Asp-Lys-Lys

Default Structure
ChEBI IDCHEBI:160729
ChEBI NameAsp-Lys-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N5O6
Net Charge0
Average Mass389.453
Monoisotopic Mass389.22743
SMILESNCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C16H31N5O6/c17-7-3-1-5-11(20-14(24)10(19)9-13(22)23)15(25)21-12(16(26)27)6-2-4-8-18/h10-12H,1-9,17-19H2,(H,20,24)(H,21,25)(H,22,23)(H,26,27)/t10-,11-,12-/m0/s1
InChIKeyNVFSJIXJZCDICF-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)
Asp-Lys-Lys (CHEBI:160729) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoic acid
Manual XrefsDatabases
16569790ChemSpider