RefMet Compound Details

MW structure3438 (View MW Metabolite Database details)
RefMet namePelargonaldehyde
Systematic namenonanal
SMILESCCCCCCCCC=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass142.135765 (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
FormulaC9H18OView other entries in RefMet with this formula
InChIInChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
InChIKeyGYHFUZHODSMOHU-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty aldehydes
Sub ClassFatty aldehydes
Pubchem CID31289
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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