RefMet Compound Details

MW structure37118 (View MW Metabolite Database details)
RefMet nameMaleic acid
Systematic name(2Z)-but-2-enedioic acid
SMILESOC(=O)/C=C\C(O)=O
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
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
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)
Human quantitationView measurements in targeted assays on human samples
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