In-Silico Structure Database (LMISSD)

Common Name
DG(18:2(9Z,11Z)/18:0/0:0)
Systematic Name
1-(9Z,11Z-octadecadienoyl)-2-octadecanoyl-sn-glycerol
LM ID
LMGL02019B28
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
620.537975
Formula
C39H72O5
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)
MAOFLSOHFGAVRL-XZJJRZFCSA-N
InChi (Click to copy)
InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,17,19,37,40H,3-12,14,16,18,20-36H2,1-2H3/b15-13-,19-17-/t37-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C=C/CCCCCC)=O

References

Other Databases