In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(7E,10E,13E,16E)/16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(7E,10E,13E,16E-eicosatetraenoyl)-2-(7Z-hexadecenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0301GJDD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
924.720690
Formula
C61H96O6
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)
FPXDVYWQHPQORM-XBRFCZSLSA-N
InChi (Click to copy)
InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10-11,14,16,19-20,23,25,27-28,30-32,35-40,45,48,58H,4-6,8-9,12-13,15,17-18,21-22,24,26,29,33-34,41-44,46-47,49-57H2,1-3H3/b10-7-,14-11+,19-16-,23-20+,27-25-,31-28+,32-30-,38-36+,39-37-,40-35-,48-45-/t58-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O

References

Other Databases