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CHEBI:161386 - Phe-Asp-Thr

ChEBI IDCHEBI:161386
ChEBI NamePhe-Asp-Thr
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](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H23N3O7/c1-9(21)14(17(26)27)20-16(25)12(8-13(22)23)19-15(24)11(18)7-10-5-3-2-4-6-10/h2-6,9,11-12,14,21H,7-8,18H2,1H3,(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t9-,11+,12+,14+/m1/s1
InChIKeySWZKMTDPQXLQRD-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-Asp-Thr (CHEBI:161386) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-oxobutanoic acid