In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(5E,8E,11E,14E)/20:5(5Z,8Z,11Z,14Z,17Z)/16:0)
Systematic Name
1-(5E,8E,11E,14E-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-hexadecanoyl-sn-glycerol
LM ID
LMGL0301FVDO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
900.720690
Formula
C59H96O6
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)
ZLPGNDHRJUFQTK-MPXDRYBVSA-N
InChi (Click to copy)
InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-28,31-32,34-35,40-41,43-44,56H,4-7,9-10,12-15,18,21-24,29-30,33,36-39,42,45-55H2,1-3H3/b11-8-,19-16+,20-17-,27-25+,28-26-,34-31+,35-32-,43-40+,44-41-/t56-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O

References

Other Databases