In-Silico Structure Database (LMISSD)

Common Name
TG(24:4(5Z,8Z,11Z,14Z)/31:0/32:0)
Systematic Name
1-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-2-hentriacontanoyl-3-dotriacontanoyl-sn-glycerol
LM ID
LMGL0301IPYQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1345.284090
Formula
C90H168O6
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)
KDUUQRLLFOCEPY-DZYVVDRVSA-N
InChi (Click to copy)
InChI=1S/C90H168O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-39-41-43-45-47-48-50-53-56-59-62-65-68-71-74-77-80-83-89(92)95-86-87(85-94-88(91)82-79-76-73-70-67-64-61-58-55-52-36-33-30-27-24-21-18-15-12-9-6-3)96-90(93)84-81-78-75-72-69-66-63-60-57-54-51-49-46-44-42-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h30,33,52,55,61,64,70,73,87H,4-29,31-32,34-51,53-54,56-60,62-63,65-69,71-72,74-86H2,1-3H3/b33-30-,55-52-,64-61-,73-70-/t87-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O

References

Other Databases