In-Silico Structure Database (LMISSD)

Common Name
TG(35:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-pentatriacontanoyl-2-(9Z-tetradecenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
LM ID
LMGL0301KS9D
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1088.971090
Formula
C72H128O6
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)
MEXOJPJUOLYMPB-BCRSJQMNSA-N
InChi (Click to copy)
InChI=1S/C72H128O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-51-53-56-59-62-65-71(74)77-68-69(78-72(75)66-63-60-57-54-49-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-50-47-45-43-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,45,47,52,55,69H,4-7,9-10,12-14,16,19,21-24,26,28-44,46,48-51,53-54,56-68H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,47-45-,55-52-/t69-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases