RefMet Compound Details

RefMet IDRM0025462
MW structure83687 (View MW Metabolite Database details)
RefMet nameLys-Lys-Lys
Systematic nameL-Lysyl-L-lysyl-L-lysine
SMILESC(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass402.295454 (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
FormulaC18H38N6O4View other entries in RefMet with this formula
InChIInChI=1S/C18H38N6O4/c19-10-4-1-7-13(22)16(25)23-14(8-2-5-11-20)17(26)24-15(18(27)28)9-3-6-12-21/h13-15H,1-12,19-22H2,(H,23,25)(H,2
4,26)(H,27,28)/t13-,14-,15-/m0/s1
InChIKeyWBSCNDJQPKSPII-KKUMJFAQSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID72363
ChEBI ID160118
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo