In-Silico Structure Database (LMISSD)

Common Name
TG(35:0/18:2(9E,11E)/35:0)
Systematic Name
1,3-di-pentatriacontanoyl-2-(9E,11E-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301KUMK
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)
FQGLYMWEYOILFQ-JMMKBTOCSA-N
InChi (Click to copy)
InChI=1S/C91H174O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-58-60-63-65-68-71-74-77-80-83-89(92)95-86-88(97-91(94)85-82-79-76-73-70-67-62-27-24-21-18-15-12-9-6-3)87-96-90(93)84-81-78-75-72-69-66-64-61-59-57-55-53-51-49-47-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,27,62,88H,4-20,22-23,25-26,28-61,63-87H2,1-3H3/b24-21+,62-27+
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases