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CHEBI:160523 - Asp-Glu-Gln

ChEBI IDCHEBI:160523
ChEBI NameAsp-Glu-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22N4O9
Net Charge0
Average Mass390.349
Monoisotopic Mass390.13868
SMILESNC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C14H22N4O9/c15-6(5-11(22)23)12(24)17-7(2-4-10(20)21)13(25)18-8(14(26)27)1-3-9(16)19/h6-8H,1-5,15H2,(H2,16,19)(H,17,24)(H,18,25)(H,20,21)(H,22,23)(H,26,27)/t6-,7-,8-/m0/s1
InChIKeyHSWYMWGDMPLTTH-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)
Asp-Glu-Gln (CHEBI:160523) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid