In-Silico Structure Database (LMISSD)

Common Name
DG(37:0/0:0/18:3(6Z,9Z,12Z))
Systematic Name
1-heptatriacontanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL02019KQX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
884.819675
Formula
C58H108O5
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)
LOORBLKZGPHGNS-BQYPZFEUSA-N
InChi (Click to copy)
InChI=1S/C58H108O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-58(61)63-55-56(59)54-62-57(60)52-50-48-46-44-42-40-38-18-16-14-12-10-8-6-4-2/h12,14,18,38,42,44,56,59H,3-11,13,15-17,19-37,39-41,43,45-55H2,1-2H3/b14-12-,38-18-,44-42-/t56-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases