RefMet Compound Details

MW structure50 (View MW Metabolite Database details)
RefMet nameNonacosylic acid
Alternative nameFA 29:0
Systematic namenonacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Sum CompositionNonacosanoic acid View other entries in RefMet with this sum composition
Exact mass438.443680 (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
FormulaC29H58O2View other entries in RefMet with this formula
InChIInChI=1S/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31)
InChIKeyIHEJEKZAKSNRLY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID20245
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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