In-Silico Structure Database (LMISSD)

Common Name
TG(23:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-tricosanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
LM ID
LMGL0301H7A9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1000.845890
Formula
C66H112O6
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)
LLFYUUCNNCGIFY-PBBFZDTNSA-N
InChi (Click to copy)
InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-37-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,33,35,37,40,43,45,48,63H,4-8,10-11,13-16,19,22-25,28,30-32,34,36,38-39,41-42,44,46-47,49-62H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,35-33-,37-27-,43-40-,48-45-/t63-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases