In-Silico Structure Database (LMISSD)

Common Name
TG(12:0/20:4(5Z,8Z,11Z,14Z)/37:0)
Systematic Name
1-dodecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-heptatriacontanoyl-sn-glycerol
LM ID
LMGL03019NZL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1093.002390
Formula
C72H132O6
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)
HRYXFHXFAKRPGC-QRENKPDTSA-N
InChi (Click to copy)
InChI=1S/C72H132O6/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-45-46-48-50-53-56-59-62-65-71(74)77-68-69(67-76-70(73)64-61-58-55-52-18-15-12-9-6-3)78-72(75)66-63-60-57-54-51-49-47-44-26-24-22-20-17-14-11-8-5-2/h17,20,24,26,47,49,54,57,69H,4-16,18-19,21-23,25,27-46,48,50-53,55-56,58-68H2,1-3H3/b20-17-,26-24-,49-47-,57-54-/t69-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCC)=O

References

Other Databases