RefMet Compound Details

MW structure29 (View MW Metabolite Database details)
RefMet nameHeptylic acid
Systematic nameheptanoic acid
Alternative nameFA(7:0)
Canonical SMILESCCCCCCC(O)=O
Exact mass130.0994View other entries in RefMet with this exact mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC7H14O2View other entries in RefMet with this formula
InChIInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKeyMNWFXJYAOYHMED-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID8094
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