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CHEBI:159933 - Asn-Lys-Ile

ChEBI IDCHEBI:159933
ChEBI NameAsn-Lys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N5O5
Net Charge0
Average Mass373.454
Monoisotopic Mass373.23252
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C16H31N5O5/c1-3-9(2)13(16(25)26)21-15(24)11(6-4-5-7-17)20-14(23)10(18)8-12(19)22/h9-11,13H,3-8,17-18H2,1-2H3,(H2,19,22)(H,20,23)(H,21,24)(H,25,26)/t9-,10-,11-,13-/m0/s1
InChIKeyJWKDQOORUCYUIW-ZPFDUUQYSA-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-Lys-Ile (CHEBI:159933) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid