In-Silico Structure Database (LMISSD)

Common Name
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5E,8E,11E,14E)/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(5E,8E,11E,14E-eicosatetraenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0301HMTJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1002.767640
Formula
C67H102O6
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)
WSLZMGJZHVSKJO-BLMMOSGVSA-N
InChi (Click to copy)
InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,49,51-52,54,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-48,50,53,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18+,28-25-,29-26-,30-27+,36-33-,37-34-,43-40+,44-41-,45-42-,52-49+,54-51-/t64-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/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)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O

References

Other Databases