RefMet Compound Details

MW structure47 (View MW Metabolite Database details)
RefMet nameCerotic acid
Alternative nameFA 26:0
Systematic namehexacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Sum CompositionFA 26:0 View other entries in RefMet with this sum composition
Exact mass396.396730 (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
FormulaC26H52O2View other entries in RefMet with this formula
InChIInChI=1S/C26H52O2/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/h2-25H2,1H3,(H,27,28)
InChIKeyXMHIUKTWLZUKEX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID10469
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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