EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164521 - His-His-Glu

ChEBI IDCHEBI:164521
ChEBI NameHis-His-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23N7O6
Net Charge0
Average Mass421.414
Monoisotopic Mass421.17098
SMILESN[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C17H23N7O6/c18-11(3-9-5-19-7-21-9)15(27)24-13(4-10-6-20-8-22-10)16(28)23-12(17(29)30)1-2-14(25)26/h5-8,11-13H,1-4,18H2,(H,19,21)(H,20,22)(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t11-,12-,13-/m0/s1
InChIKeyCTGZVVQVIBSOBB-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-His-Glu (CHEBI:164521) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid