In-Silico Structure Database (LMISSD)

Common Name
TG(18:4(9E,11E,13E,15E)/22:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl)-2-docosanoyl-3-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0301D82P
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
982.798940
Formula
C65H106O6
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)
JPLSBGSEIBVFOO-WHKJKMFKSA-N
InChi (Click to copy)
InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,15-16,18-19,21,24,27-28,30,32,34,36,40,43,49,52,62H,4-6,8,11,13-14,17,20,22-23,25-26,29,31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,12-9+,18-15+,19-16-,24-21+,30-28+,34-32-,36-27+,43-40-,52-49-/t62-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O

References

Other Databases