In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(5Z,8Z,11Z,14Z)/33:0/18:3(9Z,12Z,15Z))
Systematic Name
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-tritriacontanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL0301GC0C
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1114.986740
Formula
C74H130O6
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)
KZVZHFKSSLXNQJ-IDXSKSBPSA-N
InChi (Click to copy)
InChI=1S/C74H130O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-44-47-50-53-56-59-62-65-68-74(77)80-71(69-78-72(75)66-63-60-57-54-51-48-45-27-24-21-18-15-12-9-6-3)70-79-73(76)67-64-61-58-55-52-49-46-43-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,45-46,49,55,58,71H,4-8,10-11,13-16,19,22-25,28,30-44,47-48,50-54,56-57,59-70H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,45-27-,49-46-,58-55-/t71-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O

References

Other Databases