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CHEBI:158340 - Ala-Lys-Ile

Default Structure
ChEBI IDCHEBI:158340
ChEBI NameAla-Lys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H30N4O4
Net Charge0
Average Mass330.429
Monoisotopic Mass330.22671
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C15H30N4O4/c1-4-9(2)12(15(22)23)19-14(21)11(7-5-6-8-16)18-13(20)10(3)17/h9-12H,4-8,16-17H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)/t9-,10-,11-,12-/m0/s1
InChIKeyXHNLCGXYBXNRIS-BJDJZHNGSA-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-Lys-Ile (CHEBI:158340) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid