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CHEBI:159802 - Lys-Asp-Ile

ChEBI IDCHEBI:159802
ChEBI NameLys-Asp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H30N4O6
Net Charge0
Average Mass374.438
Monoisotopic Mass374.21653
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)O
InChIInChI=1S/C16H30N4O6/c1-3-9(2)13(16(25)26)20-15(24)11(8-12(21)22)19-14(23)10(18)6-4-5-7-17/h9-11,13H,3-8,17-18H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t9-,10-,11-,13-/m0/s1
InChIKeyWGCKDDHUFPQSMZ-ZPFDUUQYSA-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)
Lys-Asp-Ile (CHEBI:159802) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
34988392ChemSpider
Registry NumbersSources
CAS:515835-71-9ChemIDplus