In-Silico Structure Database (LMISSD)

Common Name
TG(O-18:0/38:0/18:2(9Z,11Z))
Systematic Name
1-octadecyl-2-octatriacontanoyl-3-(9Z,11Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL030290Q9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1153.132675
Formula
C77H148O5
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]
Alkyldiacylglycerols [GL0302]

String Representations

InChiKey (Click to copy)
KUOVOYQYGAXQHW-WBIZCLMESA-N
InChi (Click to copy)
InChI=1S/C77H148O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-50-53-56-59-62-65-68-71-77(79)82-75(73-80-72-69-66-63-60-57-54-51-29-26-23-20-17-14-11-8-5-2)74-81-76(78)70-67-64-61-58-55-52-49-27-24-21-18-15-12-9-6-3/h21,24,27,49,75H,4-20,22-23,25-26,28-48,50-74H2,1-3H3/b24-21-,49-27-/t75-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C=C/CCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCC

References

Other Databases