In-Silico Structure Database (LMISSD)

Common Name
TG(O-18:0/39:0/26:2(5Z,9E))
Systematic Name
1-octadecyl-2-nonatriacontanoyl-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL030290UO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1279.273525
Formula
C86H166O5
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)
LSHIOOMACQSFII-TYTPNHORSA-N
InChi (Click to copy)
InChI=1S/C86H166O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-47-48-49-51-53-55-57-59-62-65-68-71-74-77-80-86(88)91-84(82-89-81-78-75-72-69-66-63-60-30-27-24-21-18-15-12-9-6-3)83-90-85(87)79-76-73-70-67-64-61-58-56-54-52-50-36-34-32-29-26-23-20-17-14-11-8-5-2/h56,58,67,70,84H,4-55,57,59-66,68-69,71-83H2,1-3H3/b58-56+,70-67-/t84-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCC

References

Other Databases