In-Silico Structure Database (LMISSD)

Common Name
TG(18:3(9Z,12Z,15Z)/24:0/20:4(5Z,8Z,11Z,13E))
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-2-tetracosanoyl-3-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301DY0E
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
988.845890
Formula
C65H112O6
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)
LOFLQBIWVBYWTG-OIHHTGQQSA-N
InChi (Click to copy)
InChI=1S/C65H112O6/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/h9,12,18,20-21,23,26-27,29,36-37,40,46,49,62H,4-8,10-11,13-17,19,22,24-25,28,30-35,38-39,41-45,47-48,50-61H2,1-3H3/b12-9-,21-18-,23-20+,29-26-,36-27-,40-37-,49-46-/t62-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O

References

Other Databases