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CHEBI:159996 - Lys-His-His

ChEBI IDCHEBI:159996
ChEBI NameLys-His-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28N8O4
Net Charge0
Average Mass420.474
Monoisotopic Mass420.22335
SMILESNCCCC[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C18H28N8O4/c19-4-2-1-3-13(20)16(27)25-14(5-11-7-21-9-23-11)17(28)26-15(18(29)30)6-12-8-22-10-24-12/h7-10,13-15H,1-6,19-20H2,(H,21,23)(H,22,24)(H,25,27)(H,26,28)(H,29,30)/t13-,14-,15-/m0/s1
InChIKeyPRCHKVGXZVTALR-KKUMJFAQSA-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-His (CHEBI:159996) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid