In-Silico Structure Database (LMISSD)

Common Name
TG(22:5(7Z,10Z,13Z,16Z,19Z)/31:0/20:2(11Z,14Z))
Systematic Name
1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-hentriacontanoyl-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
LM ID
LMGL0301HT1L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1143.018040
Formula
C76H134O6
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]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
HKKNTAFROUIHHL-QHMFSALDSA-N
InChi (Click to copy)
InChI=1S/C76H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-41-43-46-49-52-55-58-61-64-67-70-76(79)82-73(71-80-74(77)68-65-62-59-56-53-50-47-44-30-27-24-21-18-15-12-9-6-3)72-81-75(78)69-66-63-60-57-54-51-48-45-42-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29-30,42,45,51,54,73H,4-7,9-10,12-16,19,22-25,28,31-41,43-44,46-50,52-53,55-72H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,30-27-,45-42-,54-51-/t73-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O

References

Other Databases