In-Silico Structure Database (LMISSD)

Common Name
DG(30:0/20:3(5Z,8Z,11Z)/0:0)
Systematic Name
1-triacontanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL02019EZR
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)
BYPCYALEIMRJKA-RUTJUJLBSA-N
InChi (Click to copy)
InChI=1S/C53H98O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-52(55)57-50-51(49-54)58-53(56)48-46-44-42-40-38-36-34-31-20-18-16-14-12-10-8-6-4-2/h18,20,34,36,40,42,51,54H,3-17,19,21-33,35,37-39,41,43-50H2,1-2H3/b20-18-,36-34-,42-40-/t51-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases