In-Silico Structure Database (LMISSD)

Common Name
TG(20:3(8Z,11Z,14Z)/24:1(15Z)/20:4(5E,8E,11E,14E))
Systematic Name
1-(8Z,11Z,14Z-eicosatrienoyl)-2-(15Z-tetracosenoyl)-3-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301FQUZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1014.861540
Formula
C67H114O6
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)
FZYGBKUDPIDNAE-PRIRDESISA-N
InChi (Click to copy)
InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,25-30,38-39,41-42,47,50,64H,4-16,19,22-24,31-37,40,43-46,48-49,51-63H2,1-3H3/b20-17+,21-18-,28-25-,29-26+,30-27-,41-38+,42-39-,50-47+/t64-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O

References

Other Databases