In-Silico Structure Database (LMISSD)

Common Name
TG(O-16:0/24:4(5Z,8Z,11Z,14Z)/32:0)
Systematic Name
1-hexadecyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-dotriacontanoyl-sn-glycerol
LM ID
LMGL03029JOZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1121.070075
Formula
C75H140O5
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)
ISGZTWXQROTOME-STOPYEIQSA-N
InChi (Click to copy)
InChI=1S/C75H140O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-40-41-43-44-46-48-50-53-56-59-62-65-68-74(76)79-72-73(71-78-70-67-64-61-58-55-52-27-24-21-18-15-12-9-6-3)80-75(77)69-66-63-60-57-54-51-49-47-45-42-33-31-29-26-23-20-17-14-11-8-5-2/h29,31,42,45,49,51,57,60,73H,4-28,30,32-41,43-44,46-48,50,52-56,58-59,61-72H2,1-3H3/b31-29-,45-42-,51-49-,60-57-/t73-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COCCCCCCCCCCCCCCCC

References

Other Databases