In-Silico Structure Database (LMISSD)

Common Name
TG(18:3(9Z,12Z,15Z)/24:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0301DY5D
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1004.783290
Formula
C67H104O6
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]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
LSJRVAVZLDFITR-IQIJLABJSA-N
InChi (Click to copy)
InChI=1S/C67H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-30,33-36,38,40,42-43,45,49,51-52,54,64H,4-7,10,13-16,19,22-25,31-32,37,39,41,44,46-48,50,53,55-63H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-28-,35-33-,36-34-,38-27-,43-40-,45-42-,52-49-,54-51-/t64-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O

References

Other Databases