RefMet Compound Details

MW structure51 (View MW Metabolite Database details)
RefMet nameMelissic acid
Alternative nameFA 30:0
Systematic nametriacontanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Sum CompositionMelissic acid View other entries in RefMet with this sum composition
Exact mass452.459330 (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
FormulaC30H60O2View other entries in RefMet with this formula
InChIInChI=1S/C30H60O2/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)32/h2-29H2,1H3,(H,31,32)
InChIKeyVHOCUJPBKOZGJD-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID10471
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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