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CHEBI:160788 - Asp-Phe-Ala

ChEBI IDCHEBI:160788
ChEBI NameAsp-Phe-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21N3O6
Net Charge0
Average Mass351.359
Monoisotopic Mass351.14304
SMILESC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C16H21N3O6/c1-9(16(24)25)18-15(23)12(7-10-5-3-2-4-6-10)19-14(22)11(17)8-13(20)21/h2-6,9,11-12H,7-8,17H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,11-,12-/m0/s1
InChIKeyGYWQGGUCMDCUJE-DLOVCJGASA-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)
Asp-Phe-Ala (CHEBI:160788) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid