In-Silico Structure Database (LMISSD)

Common Name
TG(O-14:0/11:0/22:2(13Z,16Z))
Systematic Name
1-tetradecyl-2-undecanoyl-3-(13Z,16Z-docosadienoyl)-sn-glycerol
LM ID
LMGL03029AD3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
774.710125
Formula
C50H94O5
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)
CGHKINBXVPCRIK-KRXHXFEDSA-N
InChi (Click to copy)
InChI=1S/C50H94O5/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-29-30-32-35-37-40-43-49(51)54-47-48(55-50(52)44-41-38-34-18-15-12-9-6-3)46-53-45-42-39-36-33-31-22-20-17-14-11-8-5-2/h16,19,23-24,48H,4-15,17-18,20-22,25-47H2,1-3H3/b19-16-,24-23-/t48-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COCCCCCCCCCCCCCC

References

Other Databases