In-Silico Structure Database (LMISSD)

Common Name
TG(P-20:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/39:0)
Systematic Name
1-(1Z,9Z-eicosadienyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-nonatriacontanoyl-sn-glycerol
LM ID
LMGL0304AQL0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1241.163975
Formula
C84H152O5
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]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]

String Representations

InChiKey (Click to copy)
WCLYFZPCKDMUOH-CCHDITDXSA-N
InChi (Click to copy)
InChI=1S/C84H152O5/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-52-53-56-59-62-65-68-71-74-77-83(85)88-81-82(80-87-79-76-73-70-67-64-61-58-55-33-30-27-24-21-18-15-12-9-6-3)89-84(86)78-75-72-69-66-63-60-57-54-51-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,33,51,54-55,60,63,76,79,82H,4-7,9-10,12-16,18-19,21-25,27-28,30-32,34-50,52-53,56-59,61-62,64-75,77-78,80-81H2,1-3H3/b11-8-,20-17-,29-26-,54-51-,55-33-,63-60-,79-76-/t82-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCC

References

Other Databases