In-Silico Structure Database (LMISSD)

Common Name
TG(14:1(9Z)/26:1(5Z)/10:0)
Systematic Name
1-(9Z-tetradecenoyl)-2-(5Z-hexacosenoyl)-3-decanoyl-sn-glycerol
LM ID
LMGL03019429
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
830.736340
Formula
C53H98O6
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)
JRWOXUZTXAZHFP-VRTKQOFXSA-N
InChi (Click to copy)
InChI=1S/C53H98O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-26-27-28-29-30-31-33-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-19-17-14-11-8-5-2/h14,17,35,38,50H,4-13,15-16,18-34,36-37,39-49H2,1-3H3/b17-14-,38-35-/t50-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O

References

Other Databases