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CHEBI:162137 - Pro-Asp-Ala

Default Structure
ChEBI IDCHEBI:162137
ChEBI NamePro-Asp-Ala
Stars
Last Modified26 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O6
Net Charge0
Average Mass301.299
Monoisotopic Mass301.12739
SMILESC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C12H19N3O6/c1-6(12(20)21)14-11(19)8(5-9(16)17)15-10(18)7-3-2-4-13-7/h6-8,13H,2-5H2,1H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyUTAUEDINXUMHLG-FXQIFTODSA-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)
Pro-Asp-Ala (CHEBI:162137) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxyethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid