In-Silico Structure Database (LMISSD)

Common Name
TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL0301A9E7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
942.767640
Formula
C62H102O6
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)
GNWKSNADZSFAMM-JFFVKNGLSA-N
InChi (Click to copy)
InChI=1S/C62H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-26-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,24,26-29,31-32,34-35,37,43,46,59H,4-7,9-10,12-14,16,19,21-23,25,30,33,36,38-42,44-45,47-58H2,1-3H3/b11-8-,18-15-,20-17-,27-24-,29-28-,32-31-,34-26-,37-35-,46-43-/t59-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O

References

Other Databases