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CHEBI:162958 - Glu-His-His

ChEBI IDCHEBI:162958
ChEBI NameGlu-His-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23N7O6
Net Charge0
Average Mass421.414
Monoisotopic Mass421.17098
SMILESN[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C17H23N7O6/c18-11(1-2-14(25)26)15(27)23-12(3-9-5-19-7-21-9)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
InChIKeyXOFYVODYSNKPDK-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)
Glu-His-His (CHEBI:162958) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid