In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(7E,10E,13E,16E)/24:0/33:0)
Systematic Name
1-(7E,10E,13E,16E-eicosatetraenoyl)-2-tetracosanoyl-3-tritriacontanoyl-sn-glycerol
LM ID
LMGL0301GMPQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1205.127590
Formula
C80H148O6
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)
LOCULYYIPMGKEE-WMKZYEOTSA-N
InChi (Click to copy)
InChI=1S/C80H148O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-36-37-38-39-40-41-42-43-45-46-49-52-55-58-61-64-67-70-73-79(82)85-76-77(75-84-78(81)72-69-66-63-60-57-54-51-48-30-27-24-21-18-15-12-9-6-3)86-80(83)74-71-68-65-62-59-56-53-50-47-44-34-32-29-26-23-20-17-14-11-8-5-2/h12,15,21,24,30,48,54,57,77H,4-11,13-14,16-20,22-23,25-29,31-47,49-53,55-56,58-76H2,1-3H3/b15-12+,24-21+,48-30+,57-54+/t77-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O

References

Other Databases