In-Silico Structure Database (LMISSD)

Common Name
TG(O-16:0/24:4(5Z,8Z,11Z,14Z)/31:0)
Systematic Name
1-hexadecyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-hentriacontanoyl-sn-glycerol
LM ID
LMGL03029JOY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1107.054425
Formula
C74H138O5
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]
Alkyldiacylglycerols [GL0302]

String Representations

InChiKey (Click to copy)
QNJXIRPJGRFHII-WVGXOPCGSA-N
InChi (Click to copy)
InChI=1S/C74H138O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-40-42-43-45-47-49-52-55-58-61-64-67-73(75)78-71-72(70-77-69-66-63-60-57-54-51-27-24-21-18-15-12-9-6-3)79-74(76)68-65-62-59-56-53-50-48-46-44-41-33-31-29-26-23-20-17-14-11-8-5-2/h29,31,41,44,48,50,56,59,72H,4-28,30,32-40,42-43,45-47,49,51-55,57-58,60-71H2,1-3H3/b31-29-,44-41-,50-48-,59-56-/t72-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COCCCCCCCCCCCCCCCC

References

Other Databases