In-Silico Structure Database (LMISSD)

O O H O O OH
Common Name
DG(12:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
Systematic Name
1-dodecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL02019AGG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
586.459725
Formula
C37H62O5
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)
JLUMXLXIDBEAFL-RZHBROQQSA-N
InChi (Click to copy)
InChI=1S/C37H62O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-12-10-8-6-4-2/h11,13,15-16,18-19,21-22,26,28,35,38H,3-10,12,14,17,20,23-25,27,29-34H2,1-2H3/b13-11-,16-15-,19-18-,22-21-,28-26-/t35-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCC)=O

References

Other Databases