In-Silico Structure Database (LMISSD)

Common Name
TG(15:0/11:0/17:2(9Z,12Z))
Systematic Name
1-pentadecanoyl-2-undecanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
LM ID
LMGL03019584
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
732.626790
Formula
C46H84O6
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)
VIVOCXIYAJCKAI-XPCQPAIPSA-N
InChi (Click to copy)
InChI=1S/C46H84O6/c1-4-7-10-13-16-19-21-23-24-26-28-31-33-36-39-45(48)51-42-43(52-46(49)40-37-34-29-18-15-12-9-6-3)41-50-44(47)38-35-32-30-27-25-22-20-17-14-11-8-5-2/h13,16,21,23,43H,4-12,14-15,17-20,22,24-42H2,1-3H3/b16-13-,23-21-/t43-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCCCCC)=O

References

Other Databases