In-Silico Structure Database (LMISSD)

Common Name
TG(34:0/31:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-tetratriacontanoyl-2-hentriacontanoyl-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL0301KSDG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1373.315390
Formula
C92H172O6
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)
AQCNESGVOHXMAC-NDPSOVOASA-N
InChi (Click to copy)
InChI=1S/C92H172O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-39-41-43-45-46-47-49-50-52-55-58-61-64-67-70-73-76-79-82-85-91(94)97-88-89(87-96-90(93)84-81-78-75-72-69-66-63-60-57-54-36-33-30-27-24-21-18-15-12-9-6-3)98-92(95)86-83-80-77-74-71-68-65-62-59-56-53-51-48-44-42-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h30,33,54,57,63,66,72,75,89H,4-29,31-32,34-53,55-56,58-62,64-65,67-71,73-74,76-88H2,1-3H3/b33-30-,57-54-,66-63-,75-72-/t89-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases