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CHEBI:161993 - Gln-Asp-Glu

ChEBI IDCHEBI:161993
ChEBI NameGln-Asp-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22N4O9
Net Charge0
Average Mass390.349
Monoisotopic Mass390.13868
SMILESNC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C14H22N4O9/c15-6(1-3-9(16)19)12(24)18-8(5-11(22)23)13(25)17-7(14(26)27)2-4-10(20)21/h6-8H,1-5,15H2,(H2,16,19)(H,17,25)(H,18,24)(H,20,21)(H,22,23)(H,26,27)/t6-,7-,8-/m0/s1
InChIKeyIKDOHQHEFPPGJG-FXQIFTODSA-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)
Gln-Asp-Glu (CHEBI:161993) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]pentanedioic acid