In-Silico Structure Database (LMISSD)

Common Name
TG(20:3(5Z,8Z,11Z)/24:4(5Z,8Z,11Z,14Z)/34:0)
Systematic Name
1-(5Z,8Z,11Z-eicosatrienoyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-tetratriacontanoyl-sn-glycerol
LM ID
LMGL0301FLMU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1213.096290
Formula
C81H144O6
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)
QICSGWXCLBWHIG-UCFRYKMTSA-N
InChi (Click to copy)
InChI=1S/C81H144O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-36-37-38-39-40-41-42-43-44-46-47-50-53-56-59-62-65-68-71-74-80(83)86-77-78(76-85-79(82)73-70-67-64-61-58-55-52-49-30-27-24-21-18-15-12-9-6-3)87-81(84)75-72-69-66-63-60-57-54-51-48-45-34-32-29-26-23-20-17-14-11-8-5-2/h27,29-30,32,45,48,52,54-55,57,61,63-64,66,78H,4-26,28,31,33-44,46-47,49-51,53,56,58-60,62,65,67-77H2,1-3H3/b30-27-,32-29-,48-45-,55-52-,57-54-,64-61-,66-63-/t78-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O

References

Other Databases