In-Silico Structure Database (LMISSD)

Common Name
DG(24:1(15Z)/26:2(5Z,9E)/0:0)
Systematic Name
1-(15Z-tetracosenoyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL02019EA4
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)
KUFJIQBHUYKUKB-GMNDBCSBSA-N
InChi (Click to copy)
InChI=1S/C53H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-46-48-53(56)58-51(49-54)50-57-52(55)47-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,32,34,40,42,51,54H,3-17,19,21-31,33,35-39,41,43-50H2,1-2H3/b20-18-,34-32+,42-40-/t51-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O

References

Other Databases