EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:157937 - Ala-Ala-Tyr

ChEBI IDCHEBI:157937
ChEBI NameAla-Ala-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21N3O5
Net Charge0
Average Mass323.349
Monoisotopic Mass323.14812
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C15H21N3O5/c1-8(16)13(20)17-9(2)14(21)18-12(15(22)23)7-10-3-5-11(19)6-4-10/h3-6,8-9,12,19H,7,16H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)/t8-,9-,12-/m0/s1
InChIKeyUGLPMYSCWHTZQU-AUTRQRHGSA-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-Ala-Tyr (CHEBI:157937) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
5382910ChemSpider