EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:164531 - His-His-Lys

ChEBI IDCHEBI:164531
ChEBI NameHis-His-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28N8O4
Net Charge0
Average Mass420.474
Monoisotopic Mass420.22335
SMILESNCCCC[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C18H28N8O4/c19-4-2-1-3-14(18(29)30)25-17(28)15(6-12-8-22-10-24-12)26-16(27)13(20)5-11-7-21-9-23-11/h7-10,13-15H,1-6,19-20H2,(H,21,23)(H,22,24)(H,25,28)(H,26,27)(H,29,30)/t13-,14-,15-/m0/s1
InChIKeyAKAPKBNIVNPIPO-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)
His-His-Lys (CHEBI:164531) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
Manual XrefsDatabases
16571647ChemSpider