In-Silico Structure Database (LMISSD)

Common Name
TG(14:1(9Z)/10:0/20:2(11Z,14Z))
Systematic Name
1-(9Z-tetradecenoyl)-2-decanoyl-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
LM ID
LMGL030190V7
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)
SPBGJRLIKWCNED-AOMSIIEWSA-N
InChi (Click to copy)
InChI=1S/C47H84O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-27-29-32-34-37-40-46(49)52-43-44(53-47(50)41-38-35-30-15-12-9-6-3)42-51-45(48)39-36-33-31-28-26-19-17-14-11-8-5-2/h14,16-18,21-22,44H,4-13,15,19-20,23-43H2,1-3H3/b17-14-,18-16-,22-21-/t44-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O

References

Other Databases