In-Silico Structure Database (LMISSD)

Common Name
TG(31:0/22:2(13Z,16Z)/24:1(15Z))
Systematic Name
1-hentriacontanoyl-2-(13Z,16Z-docosadienoyl)-3-(15Z-tetracosenoyl)-sn-glycerol
LM ID
LMGL0301KA48
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1207.143240
Formula
C80H150O6
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)
IOBWSSICJXCQOJ-MVXNLSEASA-N
InChi (Click to copy)
InChI=1S/C80H150O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-40-41-42-44-47-49-52-55-58-61-64-67-70-73-79(82)85-76-77(86-80(83)74-71-68-65-62-59-56-53-50-45-33-30-27-24-21-18-15-12-9-6-3)75-84-78(81)72-69-66-63-60-57-54-51-48-46-43-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29-30,77H,4-17,19-20,22-25,28,31-76H2,1-3H3/b21-18-,29-26-,30-27-/t77-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases