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CHEBI:159620 - Asn-Asp-Phe

ChEBI IDCHEBI:159620
ChEBI NameAsn-Asp-Phe
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N4O7
Net Charge0
Average Mass394.384
Monoisotopic Mass394.14885
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H22N4O7/c18-10(7-13(19)22)15(25)20-11(8-14(23)24)16(26)21-12(17(27)28)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8,18H2,(H2,19,22)(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t10-,11-,12-/m0/s1
InChIKeyJZRLLSOWDYUKOK-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)
Asn-Asp-Phe (CHEBI:159620) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoic acid