EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160513 - Asp-Glu-Ala

ChEBI IDCHEBI:160513
ChEBI NameAsp-Glu-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O8
Net Charge0
Average Mass333.297
Monoisotopic Mass333.11721
SMILESC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C12H19N3O8/c1-5(12(22)23)14-11(21)7(2-3-8(16)17)15-10(20)6(13)4-9(18)19/h5-7H,2-4,13H2,1H3,(H,14,21)(H,15,20)(H,16,17)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyVAWNQIGQPUOPQW-ACZMJKKPSA-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-Glu-Ala (CHEBI:160513) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid