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CHEBI:158885 - Ile-Tyr-Tyr

ChEBI IDCHEBI:158885
ChEBI NameIle-Tyr-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31N3O6
Net Charge0
Average Mass457.527
Monoisotopic Mass457.22129
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C24H31N3O6/c1-3-14(2)21(25)23(31)26-19(12-15-4-8-17(28)9-5-15)22(30)27-20(24(32)33)13-16-6-10-18(29)11-7-16/h4-11,14,19-21,28-29H,3,12-13,25H2,1-2H3,(H,26,31)(H,27,30)(H,32,33)/t14-,19-,20-,21-/m0/s1
InChIKeyNXRNRBOKDBIVKQ-CXTHYWKRSA-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-Tyr (CHEBI:158885) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid