In-Silico Structure Database (LMISSD)

Common Name
TG(20:2(11Z,14Z)/18:4(9E,11E,13E,15E)/30:0)
Systematic Name
1-(11Z,14Z-eicosadienoyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-triacontanoyl-sn-glycerol
LM ID
LMGL0301E82U
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1074.955440
Formula
C71H126O6
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)
VLISSFVZBJVULZ-SYGRAKCMSA-N
InChi (Click to copy)
InChI=1S/C71H126O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-41-44-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-42-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-43-40-29-26-23-20-17-14-11-8-5-2/h9,12,15,17-18,20-21,24,26-27,29,42,68H,4-8,10-11,13-14,16,19,22-23,25,28,30-41,43-67H2,1-3H3/b12-9+,18-15+,20-17-,24-21+,29-26-,42-27+/t68-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O

References

Other Databases