RefMet Compound Details

MW structure82067 (View MW Metabolite Database details)
RefMet nameGly-Leu-Lys
Systematic nameGlycyl-L-leucyl-L-lysine
SMILESCC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass316.211056 (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
FormulaC14H28N4O4View other entries in RefMet with this formula
InChIInChI=1S/C14H28N4O4/c1-9(2)7-11(17-12(19)8-16)13(20)18-10(14(21)22)5-3-4-6-15/h9-11H,3-8,15-16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
/t10-,11-/m0/s1
InChIKeyLLZXNUUIBOALNY-QWRGUYRKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID51038626
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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