In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(6E,8Z,11Z,14Z)/25:0/35:0)
Systematic Name
1-(6E,8Z,11Z,14Z-eicosatetraenoyl)-2-pentacosanoyl-3-pentatriacontanoyl-sn-glycerol
LM ID
LMGL0301GHLC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1247.174540
Formula
C83H154O6
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)
RDXFTVYAAPUABE-OTADXTSDSA-N
InChi (Click to copy)
InChI=1S/C83H154O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-48-49-52-55-58-61-64-67-70-73-76-82(85)88-79-80(78-87-81(84)75-72-69-66-63-60-57-54-51-30-27-24-21-18-15-12-9-6-3)89-83(86)77-74-71-68-65-62-59-56-53-50-47-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,54,57,60,63,80H,4-17,19-20,22-26,28-29,31-53,55-56,58-59,61-62,64-79H2,1-3H3/b21-18-,30-27-,57-54-,63-60+/t80-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O

References

Other Databases