EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164508 - His-His-Ala

ChEBI IDCHEBI:164508
ChEBI NameHis-His-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21N7O4
Net Charge0
Average Mass363.378
Monoisotopic Mass363.16550
SMILESC[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C15H21N7O4/c1-8(15(25)26)21-14(24)12(3-10-5-18-7-20-10)22-13(23)11(16)2-9-4-17-6-19-9/h4-8,11-12H,2-3,16H2,1H3,(H,17,19)(H,18,20)(H,21,24)(H,22,23)(H,25,26)/t8-,11-,12-/m0/s1
InChIKeyKWBISLAEQZUYIC-UWJYBYFXSA-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-Ala (CHEBI:164508) 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]propanoic acid