In-Silico Structure Database (LMISSD)

Common Name
TG(24:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:0)
Systematic Name
1-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-octadecanoyl-sn-glycerol
LM ID
LMGL0301IN6S
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
986.830240
Formula
C65H110O6
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)
IHIWBSOJIXPREZ-SDMWRFJOSA-N
InChi (Click to copy)
InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17,20,26,28-30,32-33,37-38,40-41,46-47,49-50,62H,4-16,18-19,21-25,27,31,34-36,39,42-45,48,51-61H2,1-3H3/b20-17-,29-26-,30-28-,33-32-,40-37-,41-38-,49-46-,50-47-/t62-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O

References

Other Databases