RefMet Compound Details

RefMet nameCE 22:1
Alternative nameCE(22:1)
Systematic namecholest-5-en-3b-yl (13Z-docosenoate)
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionCE 22:1 View other entries in RefMet with this sum composition
Exact mass706.662780 (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
FormulaC49H86O2View other entries in RefMet with this formula
Super ClassSterol Lipids
Main ClassSterol esters
Sub ClassChol. esters (Cholesterol esters)
Annotation level4   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)