In-Silico Structure Database (LMISSD)

Common Name
TG(24:4(5Z,8Z,11Z,14Z)/18:2(9E,12E)/14:0)
Systematic Name
1-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-2-(9E,12E-octadecadienoyl)-3-tetradecanoyl-sn-glycerol
LM ID
LMGL0301IMWE
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)
OUXDMHNHBSWITC-YMMWZMMHSA-N
InChi (Click to copy)
InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-25-23-20-17-14-11-8-5-2/h17,20,25-27,29-30,32-34,40,43,56H,4-16,18-19,21-24,28,31,35-39,41-42,44-55H2,1-3H3/b20-17+,27-26-,30-29-,32-25+,34-33-,43-40-/t56-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O

References

Other Databases