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CHEBI:159679 - Asn-Gln-Asn

ChEBI IDCHEBI:159679
ChEBI NameAsn-Gln-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N6O7
Net Charge0
Average Mass374.354
Monoisotopic Mass374.15500
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C13H22N6O7/c14-5(3-9(16)21)11(23)18-6(1-2-8(15)20)12(24)19-7(13(25)26)4-10(17)22/h5-7H,1-4,14H2,(H2,15,20)(H2,16,21)(H2,17,22)(H,18,23)(H,19,24)(H,25,26)/t5-,6-,7-/m0/s1
InChIKeyAYKKKGFJXIDYLX-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-Asn (CHEBI:159679) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid