In-Silico Structure Database (LMISSD)

Common Name
TG(O-16:1(11Z)/24:4(5Z,8Z,11Z,14Z)/14:1(9Z))
Systematic Name
1-(11Z-hexadecenyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(9Z-tetradecenoyl)-sn-glycerol
LM ID
LMGL03029OYE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
864.757075
Formula
C57H100O5
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]
Alkyldiacylglycerols [GL0302]

String Representations

InChiKey (Click to copy)
JHFKOIIYZIWNJC-NFKXUOFRSA-N
InChi (Click to copy)
InChI=1S/C57H100O5/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-25-23-20-17-14-11-8-5-2/h14-15,17-18,26-27,29-30,32-33,39,42,55H,4-13,16,19-25,28,31,34-38,40-41,43-54H2,1-3H3/b17-14-,18-15-,27-26-,30-29-,33-32-,42-39-/t55-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCC

References

Other Databases