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CHEBI:160116 - Lys-Lys-Ile

Default Structure
ChEBI IDCHEBI:160116
ChEBI NameLys-Lys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H37N5O4
Net Charge0
Average Mass387.525
Monoisotopic Mass387.28455
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O
InChIInChI=1S/C18H37N5O4/c1-3-12(2)15(18(26)27)23-17(25)14(9-5-7-11-20)22-16(24)13(21)8-4-6-10-19/h12-15H,3-11,19-21H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/t12-,13-,14-,15-/m0/s1
InChIKeyGAHJXEMYXKLZRQ-AJNGGQMLSA-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-Lys-Ile (CHEBI:160116) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid