In-Silico Structure Database (LMISSD)

Common Name
TG(O-14:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Systematic Name
1-tetradecyl-2-(9Z-tetradecenoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL03029AM4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
782.678825
Formula
C51H90O5
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)
DSUZPBDYGBRHHS-ZIEBMDOJSA-N
InChi (Click to copy)
InChI=1S/C51H90O5/c1-4-7-10-13-16-19-22-24-25-26-27-28-30-32-35-38-41-44-50(52)55-48-49(47-54-46-43-40-37-34-31-23-20-17-14-11-8-5-2)56-51(53)45-42-39-36-33-29-21-18-15-12-9-6-3/h15-16,18-19,24-25,27-28,32,35,49H,4-14,17,20-23,26,29-31,33-34,36-48H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,35-32-/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COCCCCCCCCCCCCCC

References

Other Databases