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CHEBI:164309 - His-Asp-Ala

ChEBI IDCHEBI:164309
ChEBI NameHis-Asp-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19N5O6
Net Charge0
Average Mass341.324
Monoisotopic Mass341.13353
SMILESC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C13H19N5O6/c1-6(13(23)24)17-12(22)9(3-10(19)20)18-11(21)8(14)2-7-4-15-5-16-7/h4-6,8-9H,2-3,14H2,1H3,(H,15,16)(H,17,22)(H,18,21)(H,19,20)(H,23,24)/t6-,8-,9-/m0/s1
InChIKeyVOEGKUNRHYKYSU-XVYDVKMFSA-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-Asp-Ala (CHEBI:164309) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid