In-Silico Structure Database (LMISSD)

Common Name
TG(16:1(7Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
Systematic Name
1-(7Z-hexadecenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(11Z-eicosenoyl)-sn-glycerol
LM ID
LMGL0301AN7C
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
878.736340
Formula
C57H98O6
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)
FVLCBFGYIZIRKD-RBQTWEQXSA-N
InChi (Click to copy)
InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-27,29,31,34,36,39,54H,4-7,9-10,12-16,18-19,21-24,28,30,32-33,35,37-38,40-53H2,1-3H3/b11-8-,20-17-,27-25-,29-26-,34-31-,39-36-/t54-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCC/C=C\CCCCCCCC)=O

References

Other Databases