EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164411 - His-Gln-Lys

Default Structure
ChEBI IDCHEBI:164411
ChEBI NameHis-Gln-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H29N7O5
Net Charge0
Average Mass411.463
Monoisotopic Mass411.22302
SMILESNCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C17H29N7O5/c18-6-2-1-3-13(17(28)29)24-16(27)12(4-5-14(20)25)23-15(26)11(19)7-10-8-21-9-22-10/h8-9,11-13H,1-7,18-19H2,(H2,20,25)(H,21,22)(H,23,26)(H,24,27)(H,28,29)/t11-,12-,13-/m0/s1
InChIKeyNWGXCPUKPVISSJ-AVGNSLFASA-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-Gln-Lys (CHEBI:164411) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid
Manual XrefsDatabases
16571609ChemSpider