In-Silico Structure Database (LMISSD)

Common Name
TG(O-14:0/12:0/18:2(6Z,9Z))
Systematic Name
1-tetradecyl-2-dodecanoyl-3-(6Z,9Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL03029AFL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
732.663175
Formula
C47H88O5
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)
VFAKBZOHPKSOHR-ULEMQYCZSA-N
InChi (Click to copy)
InChI=1S/C47H88O5/c1-4-7-10-13-16-19-21-23-24-25-26-29-31-34-37-40-46(48)51-44-45(52-47(49)41-38-35-32-28-18-15-12-9-6-3)43-50-42-39-36-33-30-27-22-20-17-14-11-8-5-2/h23-24,26,29,45H,4-22,25,27-28,30-44H2,1-3H3/b24-23-,29-26-/t45-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COCCCCCCCCCCCCCC

References

Other Databases