In-Silico Structure Database (LMISSD)

Common Name
TG(14:0/24:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))
Systematic Name
1-tetradecanoyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL03019ZLS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
906.767640
Formula
C59H102O6
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)
FNIRPZXVDMOLQC-XODUNBFWSA-N
InChi (Click to copy)
InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-25-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32-33,35,41,44,56H,4-16,18-19,21-24,28,31,34,36-40,42-43,45-55H2,1-3H3/b20-17-,27-26-,30-29-,32-25-,35-33-,44-41-/t56-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O

References

Other Databases