RefMet Compound Details

MW structure78966 (View MW Metabolite Database details)
RefMet nameSer-Leu
Systematic nameL-Seryl-L-leucine
SMILESCC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass218.126658 (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
FormulaC9H18N2O4View other entries in RefMet with this formula
InChIInChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1
InChIKeyNFDYGNFETJVMSE-BQBZGAKWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID7015695
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo