RefMet Compound Details

MW structure78939 (View MW Metabolite Database details)
RefMet namePro-Asp
Systematic nameL-Prolyl-L-aspartic acid
SMILESC1C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass230.090273 (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
FormulaC9H14N2O5View other entries in RefMet with this formula
InChIKeyGLEOIKLQBZNKJZ-WDSKDSINSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID7079450
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)