EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160828 - Asp-Pro-Ala

ChEBI IDCHEBI:160828
ChEBI NameAsp-Pro-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O6
Net Charge0
Average Mass301.299
Monoisotopic Mass301.12739
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C12H19N3O6/c1-6(12(20)21)14-10(18)8-3-2-4-15(8)11(19)7(13)5-9(16)17/h6-8H,2-5,13H2,1H3,(H,14,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyKPSHWSWFPUDEGF-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)
Asp-Pro-Ala (CHEBI:160828) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[(2S)-2-[[(1S)-1-carboxyethyl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
Manual XrefsDatabases
8080104ChemSpider