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CHEBI:164444 - His-Glu-His

ChEBI IDCHEBI:164444
ChEBI NameHis-Glu-His
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](CCC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C17H23N7O6/c18-11(3-9-5-19-7-21-9)15(27)23-12(1-2-14(25)26)16(28)24-13(17(29)30)4-10-6-20-8-22-10/h5-8,11-13H,1-4,18H2,(H,19,21)(H,20,22)(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t11-,12-,13-/m0/s1
InChIKeyXMENRVZYPBKBIL-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-Glu-His (CHEBI:164444) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-5-oxopentanoic acid