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CHEBI:160407 - Asp-Asp-Gln

Default Structure
ChEBI IDCHEBI:160407
ChEBI NameAsp-Asp-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20N4O9
Net Charge0
Average Mass376.322
Monoisotopic Mass376.12303
SMILESNC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C13H20N4O9/c14-5(3-9(19)20)11(23)17-7(4-10(21)22)12(24)16-6(13(25)26)1-2-8(15)18/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
InChIKeyFRSGNOZCTWDVFZ-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)
Asp-Asp-Gln (CHEBI:160407) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid