In-Silico Structure Database (LMISSD)

Common Name
TG(11:0/32:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-undecanoyl-2-dotriacontanoyl-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL03019KGB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1064.971090
Formula
C70H128O6
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)
NIQXVRLLBGSSEO-HOKXTLCLSA-N
InChi (Click to copy)
InChI=1S/C70H128O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-55-58-61-64-70(73)76-67(65-74-68(71)62-59-56-53-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-49-47-45-43-41-39-30-28-26-24-22-20-17-14-11-8-5-2/h26,28,39,41,45,47,51,54,67H,4-25,27,29-38,40,42-44,46,48-50,52-53,55-66H2,1-3H3/b28-26-,41-39-,47-45-,54-51-/t67-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O

References

Other Databases