In-Silico Structure Database (LMISSD)

Common Name
TG(18:0/24:4(5Z,8Z,11Z,14Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301BGRY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
986.830240
Formula
C65H110O6
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)
RJPBJFPHCFISLH-KEISVQGDSA-N
InChi (Click to copy)
InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h11,14,20,23,28-30,32-34,38,40-41,43,47,50,62H,4-10,12-13,15-19,21-22,24-27,31,35-37,39,42,44-46,48-49,51-61H2,1-3H3/b14-11+,23-20+,30-28-,33-32-,34-29+,41-38-,43-40+,50-47-/t62-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O

References

Other Databases