In-Silico Structure Database (LMISSD)

Common Name
DG(20:2(5Z,8Z)/0:0/30:0)
Systematic Name
1-(5Z,8Z-eicosadienoyl)-3-triacontanoyl-sn-glycerol
LM ID
LMGL02019H97
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
816.757075
Formula
C53H100O5
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)
ZUWUAQRHDNCMKE-YZOZNMMLSA-N
InChi (Click to copy)
InChI=1S/C53H100O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-53(56)58-50-51(54)49-57-52(55)47-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h33,35,39,41,51,54H,3-32,34,36-38,40,42-50H2,1-2H3/b35-33-,41-39-/t51-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)COC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O

References

Other Databases