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CHEBI:162776 - Glu-Asp-Gln

ChEBI IDCHEBI:162776
ChEBI NameGlu-Asp-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](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
InChIInChI=1S/C14H22N4O9/c15-6(1-4-10(20)21)12(24)18-8(5-11(22)23)13(25)17-7(14(26)27)2-3-9(16)19/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
InChIKeyVAIWPXWHWAPYDF-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)
Glu-Asp-Gln (CHEBI:162776) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-amino-5-[[(2S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid