In-Silico Structure Database (LMISSD)

Common Name
DG(18:3(6Z,9Z,12Z)/32:0/0:0)
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-dotriacontanoyl-sn-glycerol
LM ID
LMGL02019B9J
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
814.741425
Formula
C53H98O5
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]
Diradylglycerols [GL02]
Diacylglycerols [GL0201]

String Representations

InChiKey (Click to copy)
ZTMUDIGOMPSECU-WWRFIKJTSA-N
InChi (Click to copy)
InChI=1S/C53H98O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-53(56)58-51(49-54)50-57-52(55)47-45-43-41-39-37-35-33-18-16-14-12-10-8-6-4-2/h12,14,18,33,37,39,51,54H,3-11,13,15-17,19-32,34-36,38,40-50H2,1-2H3/b14-12-,33-18-,39-37-/t51-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O

References

Other Databases