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CHEBI:159998 - Lys-His-Ile

ChEBI IDCHEBI:159998
ChEBI NameLys-His-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32N6O4
Net Charge0
Average Mass396.492
Monoisotopic Mass396.24850
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)CCCCN)C(=O)O
InChIInChI=1S/C18H32N6O4/c1-3-11(2)15(18(27)28)24-17(26)14(8-12-9-21-10-22-12)23-16(25)13(20)6-4-5-7-19/h9-11,13-15H,3-8,19-20H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28)/t11-,13-,14-,15-/m0/s1
InChIKeyWOEDRPCHKPSFDT-MXAVVETBSA-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-His-Ile (CHEBI:159998) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid