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CHEBI:158867 - Ile-Tyr-Ile

ChEBI IDCHEBI:158867
ChEBI NameIle-Tyr-Ile
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC21H33N3O5
Net Charge0
Average Mass407.511
Monoisotopic Mass407.24202
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C21H33N3O5/c1-5-12(3)17(22)20(27)23-16(11-14-7-9-15(25)10-8-14)19(26)24-18(21(28)29)13(4)6-2/h7-10,12-13,16-18,25H,5-6,11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t12-,13-,16-,17-,18-/m0/s1
InChIKeyREXAUQBGSGDEJY-IGISWZIWSA-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-Ile (CHEBI:158867) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid