In-Silico Structure Database (LMISSD)

Common Name
TG(O-18:0/35:0/24:1(15Z))
Systematic Name
1-octadecyl-2-pentatriacontanoyl-3-(15Z-tetracosenoyl)-sn-glycerol
LM ID
LMGL030290LA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1197.195275
Formula
C80H156O5
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)
LPUCHLQBNXJXPH-RBVNWCLFSA-N
InChi (Click to copy)
InChI=1S/C80H156O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-36-37-38-39-40-41-42-43-44-45-47-49-51-53-56-59-62-65-68-71-74-80(82)85-78(76-83-75-72-69-66-63-60-57-54-30-27-24-21-18-15-12-9-6-3)77-84-79(81)73-70-67-64-61-58-55-52-50-48-46-34-32-29-26-23-20-17-14-11-8-5-2/h26,29,78H,4-25,27-28,30-77H2,1-3H3/b29-26-/t78-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCC

References

Other Databases