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CHEBI:158270 - Ile-Asp-Lys

Default Structure
ChEBI IDCHEBI:158270
ChEBI NameIle-Asp-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H30N4O6
Net Charge0
Average Mass374.438
Monoisotopic Mass374.21653
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C16H30N4O6/c1-3-9(2)13(18)15(24)20-11(8-12(21)22)14(23)19-10(16(25)26)6-4-5-7-17/h9-11,13H,3-8,17-18H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t9-,10-,11-,13-/m0/s1
InChIKeyQSPLUJGYOPZINY-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-Asp-Lys (CHEBI:158270) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid
Manual XrefsDatabases
16571944ChemSpider