In-Silico Structure Database (LMISSD)

Common Name
DG(31:0/0:0/18:2(6Z,9Z))
Systematic Name
1-hentriacontanoyl-3-(6Z,9Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL02019KCY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
802.741425
Formula
C52H98O5
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)
NHAPSDJZKDVWNO-LOLKWZIHSA-N
InChi (Click to copy)
InChI=1S/C52H98O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-52(55)57-49-50(53)48-56-51(54)46-44-42-40-38-36-34-32-18-16-14-12-10-8-6-4-2/h18,32,36,38,50,53H,3-17,19-31,33-35,37,39-49H2,1-2H3/b32-18-,38-36-/t50-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\CCCCCCCC)[C@]([H])(O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases