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CHEBI:160714 - Asp-Lys-Asn

ChEBI IDCHEBI:160714
ChEBI NameAsp-Lys-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N5O7
Net Charge0
Average Mass375.382
Monoisotopic Mass375.17540
SMILESNCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C14H25N5O7/c15-4-2-1-3-8(18-12(23)7(16)5-11(21)22)13(24)19-9(14(25)26)6-10(17)20/h7-9H,1-6,15-16H2,(H2,17,20)(H,18,23)(H,19,24)(H,21,22)(H,25,26)/t7-,8-,9-/m0/s1
InChIKeyXWSIYTYNLKCLJB-CIUDSAMLSA-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-Lys-Asn (CHEBI:160714) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-6-amino-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid