In-Silico Structure Database (LMISSD)

Common Name
TG(O-14:0/12:0/17:2(9Z,12Z))
Systematic Name
1-tetradecyl-2-dodecanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
LM ID
LMGL03029AE9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
718.647525
Formula
C46H86O5
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)
FTBAGFIDUWFMMS-BKEVGMTQSA-N
InChi (Click to copy)
InChI=1S/C46H86O5/c1-4-7-10-13-16-19-21-23-24-25-28-30-33-36-39-45(47)50-43-44(51-46(48)40-37-34-31-27-18-15-12-9-6-3)42-49-41-38-35-32-29-26-22-20-17-14-11-8-5-2/h13,16,21,23,44H,4-12,14-15,17-20,22,24-43H2,1-3H3/b16-13-,23-21-/t44-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COCCCCCCCCCCCCCC

References

Other Databases