In-Silico Structure Database (LMISSD)

Common Name
TG(P-16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(11Z-octadecenoyl)-sn-glycerol
LM ID
LMGL03049TRM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
890.772725
Formula
C59H102O5
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)
MWBWLVJCWYLHBB-KDGFXFCLSA-N
InChi (Click to copy)
InChI=1S/C59H102O5/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)56-63-58(60)52-49-46-43-40-37-34-32-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,30-31,35,38,51,54,57H,4-15,17-18,22,26-27,29,32-34,36-37,39-50,52-53,55-56H2,1-3H3/b19-16-,23-20-,24-21-,28-25-,31-30-,38-35-,54-51-/t57-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC

References

Other Databases