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CHEBI:160589 - Asp-His-Ala

ChEBI IDCHEBI:160589
ChEBI NameAsp-His-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19N5O6
Net Charge0
Average Mass341.324
Monoisotopic Mass341.13353
SMILESC[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C13H19N5O6/c1-6(13(23)24)17-12(22)9(2-7-4-15-5-16-7)18-11(21)8(14)3-10(19)20/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
InChIKeyLDGUZSIPGSPBJP-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)
Asp-His-Ala (CHEBI:160589) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid