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CHEBI:161435 - Phe-Gln-Arg

ChEBI IDCHEBI:161435
ChEBI NamePhe-Gln-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N7O5
Net Charge0
Average Mass449.512
Monoisotopic Mass449.23867
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C20H31N7O5/c21-13(11-12-5-2-1-3-6-12)17(29)26-14(8-9-16(22)28)18(30)27-15(19(31)32)7-4-10-25-20(23)24/h1-3,5-6,13-15H,4,7-11,21H2,(H2,22,28)(H,26,29)(H,27,30)(H,31,32)(H4,23,24,25)/t13-,14-,15-/m0/s1
InChIKeyKOUUGTKGEQZRHV-KKUMJFAQSA-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-Arg (CHEBI:161435) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
16573523ChemSpider