In-Silico Structure Database (LMISSD)

Common Name
DG(P-14:0/20:3(5Z,8Z,11Z)/0:0)
Systematic Name
1-(1Z-tetradecenyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL02049ABG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
574.496110
Formula
C37H66O4
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)
ABFCVCHMHBWVPL-FYJCLBPLSA-N
InChi (Click to copy)
InChI=1S/C37H66O4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-37(39)41-36(34-38)35-40-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,20-21,24,26,31,33,36,38H,3-16,19,22-23,25,27-30,32,34-35H2,1-2H3/b18-17-,21-20-,26-24-,33-31-/t36-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC

References

Other Databases