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CHEBI:160423 - Asp-Asp-Phe

ChEBI IDCHEBI:160423
ChEBI NameAsp-Asp-Phe
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21N3O8
Net Charge0
Average Mass395.368
Monoisotopic Mass395.13286
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H21N3O8/c18-10(7-13(21)22)15(25)19-11(8-14(23)24)16(26)20-12(17(27)28)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8,18H2,(H,19,25)(H,20,26)(H,21,22)(H,23,24)(H,27,28)/t10-,11-,12-/m0/s1
InChIKeySVFOIXMRMLROHO-SRVKXCTJSA-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-Asp-Phe (CHEBI:160423) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
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