EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158114 - Ala-Gln-Lys

Default Structure
ChEBI IDCHEBI:158114
ChEBI NameAla-Gln-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N5O5
Net Charge0
Average Mass345.400
Monoisotopic Mass345.20122
SMILESC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C14H27N5O5/c1-8(16)12(21)18-9(5-6-11(17)20)13(22)19-10(14(23)24)4-2-3-7-15/h8-10H,2-7,15-16H2,1H3,(H2,17,20)(H,18,21)(H,19,22)(H,23,24)/t8-,9-,10-/m0/s1
InChIKeyAWAXZRDKUHOPBO-GUBZILKMSA-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)
Ala-Gln-Lys (CHEBI:158114) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid
Manual XrefsDatabases
16568538ChemSpider
Registry NumbersSources
CAS:874752-23-5ChemIDplus