EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164128 - Thr-Phe-Ala

ChEBI IDCHEBI:164128
ChEBI NameThr-Phe-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23N3O5
Net Charge0
Average Mass337.376
Monoisotopic Mass337.16377
SMILESC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C16H23N3O5/c1-9(16(23)24)18-14(21)12(8-11-6-4-3-5-7-11)19-15(22)13(17)10(2)20/h3-7,9-10,12-13,20H,8,17H2,1-2H3,(H,18,21)(H,19,22)(H,23,24)/t9-,10+,12-,13-/m0/s1
InChIKeyWVVOFCVMHAXGLE-LFSVMHDDSA-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)
Thr-Phe-Ala (CHEBI:164128) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid