In-Silico Structure Database (LMISSD)

Common Name
TG(18:2(6Z,9Z)/24:0/15:1(9Z))
Systematic Name
1-(6Z,9Z-octadecadienoyl)-2-tetracosanoyl-3-(9Z-pentadecenoyl)-sn-glycerol
LM ID
LMGL0301C225
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
926.830240
Formula
C60H110O6
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)
MCBXXTQXMBXKFM-LGSONRQLSA-N
InChi (Click to copy)
InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h18,21,26,33,38,41,57H,4-17,19-20,22-25,27-32,34-37,39-40,42-56H2,1-3H3/b21-18-,33-26-,41-38-/t57-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\CCCCCCCC)=O

References

Other Databases