In-Silico Structure Database (LMISSD)

Common Name
TG(13:0/26:1(5Z)/18:2(9Z,11Z))
Systematic Name
1-tridecanoyl-2-(5Z-hexacosenoyl)-3-(9Z,11Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL03019UHB
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)
MKSZNXZPIRAZJN-FMQUMEDJSA-N
InChi (Click to copy)
InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-35-37-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-34-25-23-20-17-14-11-8-5-2/h20,23,25,34,42,45,57H,4-19,21-22,24,26-33,35-41,43-44,46-56H2,1-3H3/b23-20-,34-25-,45-42-/t57-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C=C/CCCCCC)[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCC)=O

References

Other Databases