EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161974 - Phe-Tyr-Thr

ChEBI IDCHEBI:161974
ChEBI NamePhe-Tyr-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27N3O6
Net Charge0
Average Mass429.473
Monoisotopic Mass429.18999
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C22H27N3O6/c1-13(26)19(22(30)31)25-21(29)18(12-15-7-9-16(27)10-8-15)24-20(28)17(23)11-14-5-3-2-4-6-14/h2-10,13,17-19,26-27H,11-12,23H2,1H3,(H,24,28)(H,25,29)(H,30,31)/t13-,17+,18+,19+/m1/s1
InChIKeyMHNBYYFXWDUGBW-RPTUDFQQSA-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)
Phe-Tyr-Thr (CHEBI:161974) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid