In-Silico Structure Database (LMISSD)

Common Name
TG(17:2(9Z,12Z)/20:4(5Z,8Z,10E,14Z)/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL0301BAAM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
884.689390
Formula
C58H92O6
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)
KTACVBUOJZQBTL-RLECKTMASA-N
InChi (Click to copy)
InChI=1S/C58H92O6/c1-4-7-10-13-16-19-22-25-28-29-31-34-37-40-43-46-49-52-58(61)64-55(53-62-56(59)50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,15-20,24,26-31,34,36,39-40,43,55H,4-7,9-10,12-14,21-23,25,32-33,35,37-38,41-42,44-54H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,27-24-,29-28+,30-26-,34-31-,39-36-,43-40-/t55-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O

References

Other Databases