RefMet Compound Details

MW structure37118 (View MW Metabolite Database details)
RefMet nameMaleic acid
Systematic name(2Z)-but-2-enedioic acid
SMILESC(=C\C(=O)O)\C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 4:2;O2 View other entries in RefMet with this sum composition
Exact mass116.010960 (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
FormulaC4H4O4View other entries in RefMet with this formula
InChIKeyVZCYOOQTPOCHFL-UPHRSURJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassDicarboxylic acids
Pubchem CID444266
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)