In-Silico Structure Database (LMISSD)

Common Name
TG(19:0/11:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-nonadecanoyl-2-undecanoyl-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL0301EA4M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
882.767640
Formula
C57H102O6
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)
JZJWQQYAFGCMHK-SZXPRPTGSA-N
InChi (Click to copy)
InChI=1S/C57H102O6/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-33-35-37-39-42-44-47-50-56(59)62-53-54(63-57(60)51-48-45-40-18-15-12-9-6-3)52-61-55(58)49-46-43-41-38-36-34-32-26-24-22-20-17-14-11-8-5-2/h25,27,29-30,33,35,39,42,54H,4-24,26,28,31-32,34,36-38,40-41,43-53H2,1-3H3/b27-25-,30-29-,35-33-,42-39-/t54-/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(CCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCC)=O

References

Other Databases