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CHEBI:158526 - Ile-Ile-Tyr

ChEBI IDCHEBI:158526
ChEBI NameIle-Ile-Tyr
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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](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC
InChIInChI=1S/C21H33N3O5/c1-5-12(3)17(22)19(26)24-18(13(4)6-2)20(27)23-16(21(28)29)11-14-7-9-15(25)10-8-14/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
InChIKeyKBAPKNDWAGVGTH-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-Ile-Tyr (CHEBI:158526) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid