In-Silico Structure Database (LMISSD)

Common Name
TG(35:0/18:4(6Z,9Z,12Z,15Z)/22:0)
Systematic Name
1-pentatriacontanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-docosanoyl-sn-glycerol
LM ID
LMGL0301KUZO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1177.096290
Formula
C78H144O6
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)
YCOUBFXEPQFZNN-FZQPCCDASA-N
InChi (Click to copy)
InChI=1S/C78H144O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-42-43-44-46-48-51-53-56-59-62-65-68-71-77(80)83-74-75(84-78(81)72-69-66-63-60-57-54-49-27-24-21-18-15-12-9-6-3)73-82-76(79)70-67-64-61-58-55-52-50-47-45-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,49,57,60,75H,4-8,10-11,13-17,19-20,22-26,28-48,50-56,58-59,61-74H2,1-3H3/b12-9-,21-18-,49-27-,60-57-/t75-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases