In-Silico Structure Database (LMISSD)

O H O O OH
Common Name
DG(P-18:0/18:1(9E)/0:0)
Systematic Name
1-(1Z-octadecenyl)-2-(9E-octadecenoyl)-sn-glycerol
LM ID
LMGL02049AJ4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
606.558710
Formula
C39H74O4
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]
1Z-alkenylacylglycerols [GL0204]

String Representations

InChiKey (Click to copy)
ZLFLBZSCARNPJO-GQKZDWGWSA-N
InChi (Click to copy)
InChI=1S/C39H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-37-38(36-40)43-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,33,35,38,40H,3-17,19,21-32,34,36-37H2,1-2H3/b20-18+,35-33-/t38-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCC

References

Other Databases