EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:161300 - Phe-Arg-Lys

ChEBI IDCHEBI:161300
ChEBI NamePhe-Arg-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H35N7O4
Net Charge0
Average Mass449.556
Monoisotopic Mass449.27505
SMILESNCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C21H35N7O4/c22-11-5-4-9-17(20(31)32)28-19(30)16(10-6-12-26-21(24)25)27-18(29)15(23)13-14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,22-23H2,(H,27,29)(H,28,30)(H,31,32)(H4,24,25,26)/t15-,16-,17-/m0/s1
InChIKeyYYRCPTVAPLQRNC-ULQDDVLXSA-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-Arg-Lys (CHEBI:161300) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
Manual XrefsDatabases
9560290ChemSpider