In-Silico Structure Database (LMISSD)

Common Name
DG(37:0/0:0/17:2(9Z,12Z))
Systematic Name
1-heptatriacontanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
LM ID
LMGL02019KQG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
872.819675
Formula
C57H108O5
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)
JBPHLHJENSJZTJ-PLFXTRTHSA-N
InChi (Click to copy)
InChI=1S/C57H108O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-57(60)62-54-55(58)53-61-56(59)51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2/h10,12,16,18,55,58H,3-9,11,13-15,17,19-54H2,1-2H3/b12-10-,18-16-/t55-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases