In-Silico Structure Database (LMISSD)

Common Name
TG(O-14:0/10:0/18:3(9Z,12Z,15Z))
Systematic Name
1-tetradecyl-2-decanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL03029AA5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
702.616225
Formula
C45H82O5
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)
SSJCCPQRIGWCGO-UOSKYYJFSA-N
InChi (Click to copy)
InChI=1S/C45H82O5/c1-4-7-10-13-16-18-20-22-23-24-25-27-30-32-35-38-44(46)49-42-43(50-45(47)39-36-33-29-15-12-9-6-3)41-48-40-37-34-31-28-26-21-19-17-14-11-8-5-2/h7,10,16,18,22-23,43H,4-6,8-9,11-15,17,19-21,24-42H2,1-3H3/b10-7-,18-16-,23-22-/t43-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCC)=O)COCCCCCCCCCCCCCC

References

Other Databases