In-Silico Structure Database (LMISSD)

Common Name
TG(25:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-pentacosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL0301IUA6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1108.939790
Formula
C74H124O6
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)
QCOFIOPDNZEOKX-XPDPDGJMSA-N
InChi (Click to copy)
InChI=1S/C74H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-41-43-46-49-52-55-58-61-64-67-73(76)79-70-71(80-74(77)68-65-62-59-56-53-50-47-44-39-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,29-30,32,37,39-40,44-45,48,50,53-54,57,59,62,71H,4-8,10-11,13-17,19-20,22-26,28,31,33-36,38,41-43,46-47,49,51-52,55-56,58,60-61,63-70H2,1-3H3/b12-9-,21-18-,30-27-,32-29-,40-37-,44-39-,48-45-,53-50-,57-54-,62-59-/t71-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases