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CHEBI:161440 - Phe-Gln-Asp

ChEBI IDCHEBI:161440
ChEBI NamePhe-Gln-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N4O7
Net Charge0
Average Mass408.411
Monoisotopic Mass408.16450
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C18H24N4O7/c19-11(8-10-4-2-1-3-5-10)16(26)21-12(6-7-14(20)23)17(27)22-13(18(28)29)9-15(24)25/h1-5,11-13H,6-9,19H2,(H2,20,23)(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t11-,12-,13-/m0/s1
InChIKeySXJGROGVINAYSH-AVGNSLFASA-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)
Phe-Gln-Asp (CHEBI:161440) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid