In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(7E,10E,13E,16E)/24:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(7E,10E,13E,16E-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0301GMTT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1032.814590
Formula
C69H108O6
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
NCVKJZPEFALQAX-PAZYJXQESA-N
InChi (Click to copy)
InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11-12,15,17,20-21,24,26,28-31,34-38,42-47,51,54,66H,4-7,9-10,13-14,16,18-19,22-23,25,27,32-33,39-41,48-50,52-53,55-65H2,1-3H3/b11-8-,15-12+,20-17-,24-21+,29-26-,31-28-,36-34-,37-30+,38-35-,45-42-,46-43+,47-44-,54-51-/t66-/m1/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\CCCCCCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O

References

Other Databases