RefMet Compound Details

MW structure1530 (View MW Metabolite Database details)
RefMet nameLevulinic acid
Alternative nameFA 5:1;O
Systematic name4-oxo-pentanoic acid
SMILESCC(=O)CCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 5:1;O View other entries in RefMet with this sum composition
Exact mass116.047345 (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
FormulaC5H8O3View other entries in RefMet with this formula
InChIKeyJOOXCMJARBKPKM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassOxo FA
Pubchem CID11579
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)