In-Silico Structure Database (LMISSD)

Common Name
DG(34:0/0:0/20:3(5Z,8Z,11Z))
Systematic Name
1-tetratriacontanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL02019KKC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
870.804025
Formula
C57H106O5
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)
WNPOGCBUAYGRBG-ZCBUUHRPSA-N
InChi (Click to copy)
InChI=1S/C57H106O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-57(60)62-54-55(58)53-61-56(59)51-49-47-45-43-41-39-37-35-20-18-16-14-12-10-8-6-4-2/h18,20,37,39,43,45,55,58H,3-17,19,21-36,38,40-42,44,46-54H2,1-2H3/b20-18-,39-37-,45-43-/t55-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)[C@]([H])(O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases