In-Silico Structure Database (LMISSD)

Common Name
TG(P-16:0/20:4(5Z,8Z,10E,14Z)/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-(1Z-hexadecenyl)-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
LM ID
LMGL03049IIX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
914.772725
Formula
C61H102O5
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)
WABSCBWXDILMCF-UQOFGLOASA-N
InChi (Click to copy)
InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-31-33-34-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25,28-29,31-33,35-37,39,43,46,53,56,59H,4-15,18,21-24,26-27,30,34,38,40-42,44-45,47-52,54-55,57-58H2,1-3H3/b19-16-,20-17-,28-25-,32-29+,33-31-,37-35-,39-36-,46-43-,56-53-/t59-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCCC

References

Other Databases