RefMet Compound Details

RefMet IDRM0137511
MW structure78707 (View MW Metabolite Database details)
RefMet nameAsn-Lys
Systematic nameL-Asparaginyl-L-lysine
SMILESC(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass260.148456 (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
FormulaC10H20N4O4View other entries in RefMet with this formula
InChIInChI=1S/C10H20N4O4/c11-4-2-1-3-7(10(17)18)14-9(16)6(12)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)/t6-,7-/m0/s1
InChIKeyQJMCHPGWFZZRID-BQBZGAKWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID16122521
ChEBI ID157797
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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