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CHEBI:160303 - Asp-Ala-Phe

ChEBI IDCHEBI:160303
ChEBI NameAsp-Ala-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21N3O6
Net Charge0
Average Mass351.359
Monoisotopic Mass351.14304
SMILESC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H21N3O6/c1-9(18-15(23)11(17)8-13(20)21)14(22)19-12(16(24)25)7-10-5-3-2-4-6-10/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
InChIKeyNECWUSYTYSIFNC-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-Ala-Phe (CHEBI:160303) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid