In-Silico Structure Database (LMISSD)

Common Name
DG(39:0/0:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-nonatriacontanoyl-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL02019KWG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
994.929225
Formula
C66H122O5
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)
RTSZJLCAHABCIS-DIHZXZGRSA-N
InChi (Click to copy)
InChI=1S/C66H122O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-57-59-61-66(69)71-63-64(67)62-70-65(68)60-58-56-54-52-50-48-46-44-42-40-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,40,42,46,48,52,54,64,67H,3-19,21,23-39,41,43-45,47,49-51,53,55-63H2,1-2H3/b22-20-,42-40-,48-46-,54-52-/t64-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)[C@]([H])(O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases