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CHEBI:159606 - Asn-Asp-Glu

Default Structure
ChEBI IDCHEBI:159606
ChEBI NameAsn-Asp-Glu
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](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C13H20N4O9/c14-5(3-8(15)18)11(23)17-7(4-10(21)22)12(24)16-6(13(25)26)1-2-9(19)20/h5-7H,1-4,14H2,(H2,15,18)(H,16,24)(H,17,23)(H,19,20)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1
InChIKeyBHQQRVARKXWXPP-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-Asp-Glu (CHEBI:159606) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]pentanedioic acid