In-Silico Structure Database (LMISSD)

Common Name
TG(O-16:0/38:0/20:4(6E,8Z,11Z,14Z))
Systematic Name
1-hexadecyl-2-octatriacontanoyl-3-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL03029KTQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1149.101375
Formula
C77H144O5
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)
KUMYBYSZNUEXNR-DWZMOIJBSA-N
InChi (Click to copy)
InChI=1S/C77H144O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-49-51-53-56-59-62-65-68-71-77(79)82-75(73-80-72-69-66-63-60-57-54-27-24-21-18-15-12-9-6-3)74-81-76(78)70-67-64-61-58-55-52-50-48-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,50,52,55,58,75H,4-16,18-19,21-25,27-28,30-49,51,53-54,56-57,59-74H2,1-3H3/b20-17-,29-26-,52-50-,58-55+/t75-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCC

References

Other Databases