EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162174 - Pro-Asp-Tyr

ChEBI IDCHEBI:162174
ChEBI NamePro-Asp-Tyr
Stars
Last Modified26 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N3O7
Net Charge0
Average Mass393.396
Monoisotopic Mass393.15360
SMILESO=C(O)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H23N3O7/c22-11-5-3-10(4-6-11)8-14(18(27)28)21-17(26)13(9-15(23)24)20-16(25)12-2-1-7-19-12/h3-6,12-14,19,22H,1-2,7-9H2,(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t12-,13-,14-/m0/s1
InChIKeyDEDANIDYQAPTFI-IHRRRGAJSA-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)
Pro-Asp-Tyr (CHEBI:162174) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid