In-Silico Structure Database (LMISSD)

Common Name
TG(11:0/12:0/20:3(8Z,11Z,14Z))
Systematic Name
1-undecanoyl-2-dodecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL03019FRG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
730.611140
Formula
C46H82O6
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)
KGERRSFECRARLK-PCDDXQFZSA-N
InChi (Click to copy)
InChI=1S/C46H82O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-28-30-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-18-15-12-9-6-3)52-46(49)40-37-34-31-27-17-14-11-8-5-2/h16,19,21-22,24-25,43H,4-15,17-18,20,23,26-42H2,1-3H3/b19-16-,22-21-,25-24-/t43-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O

References

Other Databases