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CHEBI:158619 - Ala-Tyr-Ile

ChEBI IDCHEBI:158619
ChEBI NameAla-Tyr-Ile
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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](Cc1ccc(O)cc1)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C18H27N3O5/c1-4-10(2)15(18(25)26)21-17(24)14(20-16(23)11(3)19)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-15,22H,4,9,19H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)/t10-,11-,14-,15-/m0/s1
InChIKeyGCTANJIJJROSLH-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-Tyr-Ile (CHEBI:158619) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
10443541ChemSpider