In-Silico Structure Database (LMISSD)

Common Name
DG(O-16:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
Systematic Name
1-(11Z-hexadecenyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL02029AGH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
626.527410
Formula
C41H70O4
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]
1-alkyl,2-acylglycerols [GL0202]

String Representations

InChiKey (Click to copy)
VNFHFPVFYZXVCY-PHJPGDIMSA-N
InChi (Click to copy)
InChI=1S/C41H70O4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-41(43)45-40(38-42)39-44-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,10-13,17,19,21-22,24,26,40,42H,3-4,6,8-9,14-16,18,20,23,25,27-39H2,1-2H3/b7-5-,12-10-,13-11-,19-17-,22-21-,26-24-/t40-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCCCC/C=C\CCCC

References

Other Databases