In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(5E,8E,11E,14E)/22:5(4Z,7Z,10Z,13Z,16Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(5E,8E,11E,14E-eicosatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL0301FVS1
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)
AVPTWPIFNFVMCH-KFXCGZNISA-N
InChi (Click to copy)
InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-31,34-36,39-41,43-45,48-50,52-54,57,66H,4-16,19,22-25,32-33,37-38,42,46-47,51,55-56,58-65H2,1-3H3/b20-17-,21-18+,29-26-,30-27+,31-28-,36-34-,39-35-,43-40+,44-41-,48-45-,52-49+,53-50-,57-54-/t66-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O

References

Other Databases