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CHEBI:158230 - Ile-Asn-Lys

ChEBI IDCHEBI:158230
ChEBI NameIle-Asn-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N5O5
Net Charge0
Average Mass373.454
Monoisotopic Mass373.23252
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C16H31N5O5/c1-3-9(2)13(19)15(24)21-11(8-12(18)22)14(23)20-10(16(25)26)6-4-5-7-17/h9-11,13H,3-8,17,19H2,1-2H3,(H2,18,22)(H,20,23)(H,21,24)(H,25,26)/t9-,10-,11-,13-/m0/s1
InChIKeyFJWYJQRCVNGEAQ-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)
Ile-Asn-Lys (CHEBI:158230) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
Manual XrefsDatabases
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