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CHEBI:159681 - Asn-Gln-Asp

Default Structure
ChEBI IDCHEBI:159681
ChEBI NameAsn-Gln-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N5O8
Net Charge0
Average Mass375.338
Monoisotopic Mass375.13901
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H21N5O8/c14-5(3-9(16)20)11(23)17-6(1-2-8(15)19)12(24)18-7(13(25)26)4-10(21)22/h5-7H,1-4,14H2,(H2,15,19)(H2,16,20)(H,17,23)(H,18,24)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1
InChIKeyHJRBIWRXULGMOA-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-Gln-Asp (CHEBI:159681) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid