In-Silico Structure Database (LMISSD)

Common Name
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,13E))
Systematic Name
1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301EUIQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
984.814590
Formula
C65H108O6
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)
IGLIXVMJGSYOSI-WBRAAILSSA-N
InChi (Click to copy)
InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16,19-20,23,25-30,32,35-36,39,41,44-45,48,62H,4-15,17-18,21-22,24,31,33-34,37-38,40,42-43,46-47,49-61H2,1-3H3/b19-16-,23-20+,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,48-45-/t62-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC/C=C\CCCCCCCC)=O

References

Other Databases