In-Silico Structure Database (LMISSD)

Common Name
TG(P-20:0/20:4(5Z,8Z,11Z,14Z)/18:4(9E,11E,13E,15E))
Systematic Name
1-(1Z-eicosenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL0304AFAV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
914.772725
Formula
C61H102O5
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)
GNHACXZRGZMCAL-AYSHMCOPSA-N
InChi (Click to copy)
InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-56-64-57-59(58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,15,17-18,20-21,24,26-27,29,33-34,37,43,46,53,56,59H,4-8,10-11,13-14,16,19,22-23,25,28,30-32,35-36,38-42,44-45,47-52,54-55,57-58H2,1-3H3/b12-9+,18-15+,20-17-,24-21+,29-26-,33-27+,37-34-,46-43-,56-53-/t59-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCC

References

Other Databases