In-Silico Structure Database (LMISSD)

Common Name
TG(18:4(9E,11E,13E,15E)/20:4(6E,8Z,11Z,14Z)/17:2(9Z,12Z))
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
LM ID
LMGL0301D8R8
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)
LDPGPFACCRJFEP-WXGNWFBUSA-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/h8,11,14-20,23-28,30-31,34,37,40,55H,4-7,9-10,12-13,21-22,29,32-33,35-36,38-39,41-54H2,1-3H3/b11-8+,17-14+,18-15-,19-16-,23-20+,27-24-,28-25-,30-26+,34-31-,40-37+/t55-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O

References

Other Databases