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CHEBI:158163 - Ile-Ala-Tyr

Default Structure
ChEBI IDCHEBI:158163
ChEBI NameIle-Ala-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N3O5
Net Charge0
Average Mass365.430
Monoisotopic Mass365.19507
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H27N3O5/c1-4-10(2)15(19)17(24)20-11(3)16(23)21-14(18(25)26)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-15,22H,4,9,19H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)/t10-,11-,14-,15-/m0/s1
InChIKeyHERITAGIPLEJMT-GVARAGBVSA-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-Ala-Tyr (CHEBI:158163) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
9785040ChemSpider