In-Silico Structure Database (LMISSD)

Common Name
TG(26:2(5E,9Z)/37:0/26:2(5Z,9Z))
Systematic Name
1-(5Z,9E-hexacosadienoyl)-2-heptatriacontanoyl-3-(5Z,9Z-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301JBLU
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)
RJUUBRGSPWDPJF-ARKCCHHKSA-N
InChi (Click to copy)
InChI=1S/C92H172O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-41-42-43-44-45-46-47-48-49-50-53-56-59-62-65-68-71-74-77-80-83-86-92(95)98-89(87-96-90(93)84-81-78-75-72-69-66-63-60-57-54-51-38-35-32-29-26-23-20-17-14-11-8-5-2)88-97-91(94)85-82-79-76-73-70-67-64-61-58-55-52-39-36-33-30-27-24-21-18-15-12-9-6-3/h60-61,63-64,72-73,75-76,89H,4-59,62,65-71,74,77-88H2,1-3H3/b63-60-,64-61-,75-72-,76-73+/t89-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O

References

Other Databases