In-Silico Structure Database (LMISSD)

Common Name
TG(P-18:1(11Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-tetradecanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0304907T
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
862.741425
Formula
C57H98O5
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]
1Z-alkenyldiacylglycerols [GL0304]

String Representations

InChiKey (Click to copy)
MGWUBFBZAJKMFT-RTMKUIDSSA-N
InChi (Click to copy)
InChI=1S/C57H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29-30,33,36,41,44,49,52,55H,4-15,17-18,21-22,25,27-28,31-32,34-35,37-40,42-43,45-48,50-51,53-54H2,1-3H3/b19-16-,23-20-,26-24-,30-29-,36-33-,44-41-,52-49-/t55-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC

References

Other Databases