In-Silico Structure Database (LMISSD)

Common Name
TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/10:0)
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-decanoyl-sn-glycerol
LM ID
LMGL0301DSYE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
790.611140
Formula
C51H82O6
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)
ILHKIMPRIUCXQJ-GQVGKOPWSA-N
InChi (Click to copy)
InChI=1S/C51H82O6/c1-4-7-10-13-16-18-20-22-24-25-27-29-31-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-28-26-23-21-19-17-14-11-8-5-2/h7,10,16-19,22-24,26-27,29-30,32-33,36,48H,4-6,8-9,11-15,20-21,25,28,31,34-35,37-47H2,1-3H3/b10-7-,18-16-,19-17-,24-22-,26-23-,29-27-,32-30-,36-33-/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O

References

Other Databases