RefMet Compound Details

MW structure78678 (View MW Metabolite Database details)
RefMet nameArg-Asn
Systematic nameL-Arginyl-L-asparagine
SMILESC(C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N)CNC(=N)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass288.154604 (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
FormulaC10H20N6O4View other entries in RefMet with this formula
InChIInChI=1S/C10H20N6O4/c11-5(2-1-3-15-10(13)14)8(18)16-6(9(19)20)4-7(12)17/h5-6H,1-4,11H2,(H2,12,17)(H,16,18)(H,19,20)(H4,13,14,15)/t
5-,6-/m0/s1
InChIKeyJSLGXODUIAFWCF-WDSKDSINSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID53972225
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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