In-Silico Structure Database (LMISSD)

Common Name
TG(O-14:0/11:0/18:1(6Z))
Systematic Name
1-tetradecyl-2-undecanoyl-3-(6Z-octadecenoyl)-sn-glycerol
LM ID
LMGL03029AC5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
720.663175
Formula
C46H88O5
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)
RQABQJMDKWWIES-LBPBQTMMSA-N
InChi (Click to copy)
InChI=1S/C46H88O5/c1-4-7-10-13-16-19-21-23-24-25-26-28-31-33-36-39-45(47)50-43-44(51-46(48)40-37-34-30-18-15-12-9-6-3)42-49-41-38-35-32-29-27-22-20-17-14-11-8-5-2/h26,28,44H,4-25,27,29-43H2,1-3H3/b28-26-/t44-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COCCCCCCCCCCCCCC

References

Other Databases