In-Silico Structure Database (LMISSD)

Common Name
TG(P-16:1(9Z)/20:4(6E,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL03049TB8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
886.741425
Formula
C59H98O5
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)
YICUEVGYFSBRIM-AGMBRBTASA-N
InChi (Click to copy)
InChI=1S/C59H98O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)64-59(61)53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,32-35,38,41,51,54,57H,4-15,18,22-23,27,30-31,36-37,39-40,42-50,52-53,55-56H2,1-3H3/b19-16-,20-17-,24-21-,28-25-,29-26-,34-32-,35-33-,41-38+,54-51-/t57-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC

References

Other Databases