In-Silico Structure Database (LMISSD)

Common Name
DG(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
Systematic Name
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL02049AK2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
654.558710
Formula
C43H74O4
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)
CBJIAIRFZXKDNT-HTLXMLBLSA-N
InChi (Click to copy)
InChI=1S/C43H74O4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(45)47-42(40-44)41-46-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26,28,32,34,37,39,42,44H,3-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38,40-41H2,1-2H3/b13-11-,19-17-,23-22-,28-26-,34-32-,39-37-/t42-/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)CO/C=C\CCCCCCCCCCCCCCCC

References

Other Databases