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CHEBI:158871 - Ile-Tyr-Lys

ChEBI IDCHEBI:158871
ChEBI NameIle-Tyr-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34N4O5
Net Charge0
Average Mass422.526
Monoisotopic Mass422.25292
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C21H34N4O5/c1-3-13(2)18(23)20(28)25-17(12-14-7-9-15(26)10-8-14)19(27)24-16(21(29)30)6-4-5-11-22/h7-10,13,16-18,26H,3-6,11-12,22-23H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)/t13-,16-,17-,18-/m0/s1
InChIKeyZUWSVOYKBCHLRR-MGHWNKPDSA-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-Tyr-Lys (CHEBI:158871) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
Manual XrefsDatabases
16572243ChemSpider