In-Silico Structure Database (LMISSD)

Common Name
TG(10:0/18:2(6Z,9Z)/16:1(9Z))
Systematic Name
1-decanoyl-2-(6Z,9Z-octadecadienoyl)-3-(9Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL03019BV7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
744.626790
Formula
C47H84O6
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)
SISOUJOUGLCEJJ-ZOHJBRLSSA-N
InChi (Click to copy)
InChI=1S/C47H84O6/c1-4-7-10-13-16-18-20-22-23-25-27-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-15-12-9-6-3)43-52-46(49)40-37-34-31-28-26-24-21-19-17-14-11-8-5-2/h19,21-23,27,29,44H,4-18,20,24-26,28,30-43H2,1-3H3/b21-19-,23-22-,29-27-/t44-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCC)=O

References

Other Databases