RefMet Compound Details

MW structure646 (View MW Metabolite Database details)
RefMet name5-Dodecenoic acid
Alternative nameFA 12:1
Systematic name5Z-dodecenoic acid
SMILESCCCCCC/C=C\CCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 12:1 View other entries in RefMet with this sum composition
Exact mass198.161980 (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
FormulaC12H22O2View other entries in RefMet with this formula
InChIKeyIJBFSOLHRKELLR-FPLPWBNLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassUnsaturated FA
Pubchem CID5312378
Annotation level2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)