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CHEBI:158279 - Ala-Ile-Tyr

ChEBI IDCHEBI:158279
ChEBI NameAla-Ile-Tyr
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N3O5
Net Charge0
Average Mass365.430
Monoisotopic Mass365.19507
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H27N3O5/c1-4-10(2)15(21-16(23)11(3)19)17(24)20-14(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
InChIKeyQQACQIHVWCVBBR-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)
Ala-Ile-Tyr (CHEBI:158279) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid