In-Silico Structure Database (LMISSD)

Common Name
TG(O-14:0/18:2(9Z,12Z)/14:0)
Systematic Name
1-tetradecyl-2-(9Z,12Z-octadecadienoyl)-3-tetradecanoyl-sn-glycerol
LM ID
LMGL03029B49
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
760.694475
Formula
C49H92O5
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)
MJASXMMWEZAIPD-BNAXUHHLSA-N
InChi (Click to copy)
InChI=1S/C49H92O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-49(51)54-47(45-52-44-41-38-35-32-29-23-20-17-14-11-8-5-2)46-53-48(50)42-39-36-33-30-27-21-18-15-12-9-6-3/h16,19,24-25,47H,4-15,17-18,20-23,26-46H2,1-3H3/b19-16-,25-24-/t47-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COCCCCCCCCCCCCCC

References

Other Databases