In-Silico Structure Database (LMISSD)

Common Name
TG(26:2(5E,9Z)/20:4(6E,8Z,11Z,14Z)/31:0)
Systematic Name
1-(5Z,9E-hexacosadienoyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-3-hentriacontanoyl-sn-glycerol
LM ID
LMGL0301I9J7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1201.096290
Formula
C80H144O6
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)
DRMIYLYDVJIMAM-VPINQNDOSA-N
InChi (Click to copy)
InChI=1S/C80H144O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-43-45-47-50-52-55-58-61-64-67-70-73-79(82)85-76-77(86-80(83)74-71-68-65-62-59-56-53-48-30-27-24-21-18-15-12-9-6-3)75-84-78(81)72-69-66-63-60-57-54-51-49-46-44-42-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,49,51,53,56,59-60,62-63,77H,4-17,19-20,22-26,28-29,31-48,50,52,54-55,57-58,61,64-76H2,1-3H3/b21-18-,30-27-,51-49-,56-53-,62-59+,63-60+/t77-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O

References

Other Databases