In-Silico Structure Database (LMISSD)

Common Name
TG(12:0/20:4(5Z,8Z,11Z,14Z)/38:0)
Systematic Name
1-dodecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-octatriacontanoyl-sn-glycerol
LM ID
LMGL03019NZM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1107.018040
Formula
C73H134O6
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)
MBLUUTTVDSZKAU-NOCDPEMZSA-N
InChi (Click to copy)
InChI=1S/C73H134O6/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-47-49-51-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-53-18-15-12-9-6-3)79-73(76)67-64-61-58-55-52-50-48-45-26-24-22-20-17-14-11-8-5-2/h17,20,24,26,48,50,55,58,70H,4-16,18-19,21-23,25,27-47,49,51-54,56-57,59-69H2,1-3H3/b20-17-,26-24-,50-48-,58-55-/t70-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCC)=O

References

Other Databases