EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162002 - Phe-Val-Lys

ChEBI IDCHEBI:162002
ChEBI NamePhe-Val-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32N4O4
Net Charge0
Average Mass392.500
Monoisotopic Mass392.24236
SMILESCC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C20H32N4O4/c1-13(2)17(19(26)23-16(20(27)28)10-6-7-11-21)24-18(25)15(22)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17H,6-7,10-12,21-22H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t15-,16-,17-/m0/s1
InChIKeyRGMLUHANLDVMPB-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-Val-Lys (CHEBI:162002) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
Manual XrefsDatabases
16573779ChemSpider