RefMet Compound Details

MW structure80471 (View MW Metabolite Database details)
RefMet nameAsp-Leu-Ser
Systematic nameL-Aspartyl-L-leucyl-L-serine
SMILESCC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass333.153602 (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
FormulaC13H23N3O7View other entries in RefMet with this formula
InChIKeyUMHUHHJMEXNSIV-CIUDSAMLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID16656949
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)