RefMet Compound Details

MW structure83837 (View MW Metabolite Database details)
RefMet nameLys-Val-Arg
Systematic nameL-Lysyl-L-valyl-L-arginine
SMILESCC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCCN)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass401.275053 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC17H35N7O4View other entries in RefMet with this formula
InChIInChI=1S/C17H35N7O4/c1-10(2)13(24-14(25)11(19)6-3-4-8-18)15(26)23-12(16(27)28)7-5-9-22-17(20)21/h10-13H,3-9,18-19H2,1-2H3,(H,23,26
)(H,24,25)(H,27,28)(H4,20,21,22)/t11-,12-,13-/m0/s1
InChIKeyOHXUUQDOBQKSNB-AVGNSLFASA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID11963124
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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