In-Silico Structure Database (LMISSD)

Common Name
TG(30:0/24:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-triacontanoyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
LM ID
LMGL0301J6EA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1153.002390
Formula
C77H132O6
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)
IFYHFELDMRPQIC-LKZSUJESSA-N
InChi (Click to copy)
InChI=1S/C77H132O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-36-37-38-39-40-42-43-46-49-52-55-58-61-64-67-70-76(79)82-73-74(72-81-75(78)69-66-63-60-57-54-51-48-45-30-27-24-21-18-15-12-9-6-3)83-77(80)71-68-65-62-59-56-53-50-47-44-41-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,29-30,32,41,44,48,50-51,53,57,59-60,62,74H,4-8,10-11,13-17,19-20,22-26,28,31,33-40,42-43,45-47,49,52,54-56,58,61,63-73H2,1-3H3/b12-9-,21-18-,30-27-,32-29-,44-41-,51-48-,53-50-,60-57-,62-59-/t74-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/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\CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases