In-Silico Structure Database (LMISSD)

Common Name
TG(20:2(5Z,8Z)/26:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(5Z,8Z-eicosadienoyl)-2-hexacosanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0301FGFI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1072.939790
Formula
C71H124O6
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
PLPKOIOVMSXUNQ-CYQHKCLRSA-N
InChi (Click to copy)
InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-40-37-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,42,45-46,49,51,54-55,58,68H,4-16,18-19,21-25,27-28,30-36,38-39,41,43-44,47-48,50,52-53,56-57,59-67H2,1-3H3/b20-17-,29-26-,40-37-,45-42-,49-46-,54-51-,58-55-/t68-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O

References

Other Databases