In-Silico Structure Database (LMISSD)

Common Name
TG(34:0/20:2(11Z,14Z)/34:0)
Systematic Name
1,3-di-tetratriacontanoyl-2-(11Z,14Z-eicosadienoyl)-sn-glycerol
LM ID
LMGL0301KP7G
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1363.331040
Formula
C91H174O6
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)
PSTVOXKFUAWQTG-QYIMKBBWSA-N
InChi (Click to copy)
InChI=1S/C91H174O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-47-49-51-53-55-57-60-62-65-68-71-74-77-80-83-89(92)95-86-88(97-91(94)85-82-79-76-73-70-67-64-59-30-27-24-21-18-15-12-9-6-3)87-96-90(93)84-81-78-75-72-69-66-63-61-58-56-54-52-50-48-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,88H,4-17,19-20,22-26,28-29,31-87H2,1-3H3/b21-18-,30-27-
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases