EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159720 - Asn-Glu-Asp

ChEBI IDCHEBI:159720
ChEBI NameAsn-Glu-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20N4O9
Net Charge0
Average Mass376.322
Monoisotopic Mass376.12303
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H20N4O9/c14-5(3-8(15)18)11(23)16-6(1-2-9(19)20)12(24)17-7(13(25)26)4-10(21)22/h5-7H,1-4,14H2,(H2,15,18)(H,16,23)(H,17,24)(H,19,20)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1
InChIKeyHCAUEJAQCXVQQM-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)
Asn-Glu-Asp (CHEBI:159720) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]butanoyl]amino]butanedioic acid