In-Silico Structure Database (LMISSD)

Common Name
TG(14:0/20:4(5Z,8Z,10E,14Z)/20:4(5Z,8Z,11Z,13E))
Systematic Name
1-tetradecanoyl-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-3-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL03019YGR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
874.705040
Formula
C57H94O6
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)
ZSEBCKKIZHKWDF-XZFPFYMASA-N
InChi (Click to copy)
InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h17,19-20,22,24,26-27,29-33,38-39,41-42,54H,4-16,18,21,23,25,28,34-37,40,43-53H2,1-3H3/b20-17-,22-19+,26-24-,29-27+,32-30-,33-31-,41-38-,42-39-/t54-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)COC(CCCCCCCCCCCCC)=O

References

Other Databases