RefMet Compound Details

MW structure49 (View MW Metabolite Database details)
RefMet nameMontanic acid
Alternative nameFA 28:0
Systematic nameoctacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Sum CompositionMontanic acid View other entries in RefMet with this sum composition
Exact mass424.428030 (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
FormulaC28H56O2View other entries in RefMet with this formula
InChIInChI=1S/C28H56O2/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/h2-27H2,1H3,(H,29,30)
InChIKeyUTOPWMOLSKOLTQ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID10470
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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