In-Silico Structure Database (LMISSD)

Common Name
TG(24:4(5Z,8Z,11Z,14Z)/11:0/35:0)
Systematic Name
1-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-2-undecanoyl-3-pentatriacontanoyl-sn-glycerol
LM ID
LMGL0301ILAI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1107.018040
Formula
C73H134O6
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)
VLWCWBKFUHLVHU-KIPMBDMQSA-N
InChi (Click to copy)
InChI=1S/C73H134O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-58-60-63-66-72(75)78-69-70(79-73(76)67-64-61-56-18-15-12-9-6-3)68-77-71(74)65-62-59-57-54-52-50-48-46-44-42-30-28-26-24-22-20-17-14-11-8-5-2/h26,28,42,44,48,50,54,57,70H,4-25,27,29-41,43,45-47,49,51-53,55-56,58-69H2,1-3H3/b28-26-,44-42-,50-48-,57-54-/t70-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O

References

Other Databases