EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160519 - Asp-Glu-Asp

ChEBI IDCHEBI:160519
ChEBI NameAsp-Glu-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19N3O10
Net Charge0
Average Mass377.306
Monoisotopic Mass377.10704
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H19N3O10/c14-5(3-9(19)20)11(23)15-6(1-2-8(17)18)12(24)16-7(13(25)26)4-10(21)22/h5-7H,1-4,14H2,(H,15,23)(H,16,24)(H,17,18)(H,19,20)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1
InChIKeyXAJRHVUUVUPFQL-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-Asp (CHEBI:160519) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
Manual XrefsDatabases
17280146ChemSpider