EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158455 - Ala-Pro-Glu

ChEBI IDCHEBI:158455
ChEBI NameAla-Pro-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O6
Net Charge0
Average Mass315.326
Monoisotopic Mass315.14304
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C13H21N3O6/c1-7(14)12(20)16-6-2-3-9(16)11(19)15-8(13(21)22)4-5-10(17)18/h7-9H,2-6,14H2,1H3,(H,15,19)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1
InChIKeyIORKCNUBHNIMKY-CIUDSAMLSA-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)
Ala-Pro-Glu (CHEBI:158455) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid
Manual XrefsDatabases
23267635ChemSpider