EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161873 - Phe-Thr-Asp

ChEBI IDCHEBI:161873
ChEBI NamePhe-Thr-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23N3O7
Net Charge0
Average Mass381.385
Monoisotopic Mass381.15360
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C17H23N3O7/c1-9(21)14(16(25)19-12(17(26)27)8-13(22)23)20-15(24)11(18)7-10-5-3-2-4-6-10/h2-6,9,11-12,14,21H,7-8,18H2,1H3,(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t9-,11+,12+,14+/m1/s1
InChIKeyRAGOJJCBGXARPO-XVSYOHENSA-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-Thr-Asp (CHEBI:161873) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid
Manual XrefsDatabases
8353353ChemSpider