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CHEBI:158586 - Ile-Lys-His

ChEBI IDCHEBI:158586
ChEBI NameIle-Lys-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32N6O4
Net Charge0
Average Mass396.492
Monoisotopic Mass396.24850
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C18H32N6O4/c1-3-11(2)15(20)17(26)23-13(6-4-5-7-19)16(25)24-14(18(27)28)8-12-9-21-10-22-12/h9-11,13-15H,3-8,19-20H2,1-2H3,(H,21,22)(H,23,26)(H,24,25)(H,27,28)/t11-,13-,14-,15-/m0/s1
InChIKeyXDUVMJCBYUKNFJ-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)
Ile-Lys-His (CHEBI:158586) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid