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CHEBI:163753 - Thr-Asp-Phe

ChEBI IDCHEBI:163753
ChEBI NameThr-Asp-Phe
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23N3O7
Net Charge0
Average Mass381.385
Monoisotopic Mass381.15360
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H23N3O7/c1-9(21)14(18)16(25)19-11(8-13(22)23)15(24)20-12(17(26)27)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
InChIKeyKRPKYGOFYUNIGM-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)
Thr-Asp-Phe (CHEBI:163753) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid