In-Silico Structure Database (LMISSD)

Common Name
TG(11:0/18:1(11Z)/18:2(2E,4E))
Systematic Name
1-undecanoyl-2-(11Z-octadecenoyl)-3-(2E,4E-octadecadienoyl)-sn-glycerol
LM ID
LMGL03019GM7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
786.673740
Formula
C50H90O6
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)
LRNQZRNRSYCXRG-GAZVMWETSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-18-15-12-9-6-3)56-50(53)44-41-38-35-32-30-28-26-24-22-20-17-14-11-8-5-2/h20,22,34,37,40,43,47H,4-19,21,23-33,35-36,38-39,41-42,44-46H2,1-3H3/b22-20-,37-34+,43-40-/t47-/m1/s1
SMILES (Click to copy)
C(OC(=O)/C=C\C=C\CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCC)=O

References

Other Databases