EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164631 - His-Lys-Arg

ChEBI IDCHEBI:164631
ChEBI NameHis-Lys-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H33N9O4
Net Charge0
Average Mass439.521
Monoisotopic Mass439.26555
SMILESNCCCC[C@H](NC(=O)[C@@H](N)Cc1cncn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C18H33N9O4/c19-6-2-1-4-13(26-15(28)12(20)8-11-9-23-10-25-11)16(29)27-14(17(30)31)5-3-7-24-18(21)22/h9-10,12-14H,1-8,19-20H2,(H,23,25)(H,26,28)(H,27,29)(H,30,31)(H4,21,22,24)/t12-,13-,14-/m0/s1
InChIKeyGJMHMDKCJPQJOI-IHRRRGAJSA-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-Lys-Arg (CHEBI:164631) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
8518605ChemSpider