In-Silico Structure Database (LMISSD)

Common Name
TG(16:1(9Z)/24:4(5Z,8Z,11Z,14Z)/22:0)
Systematic Name
1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-docosanoyl-sn-glycerol
LM ID
LMGL0301AVIL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
992.877190
Formula
C65H116O6
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]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
FTANIGJWMSLMAJ-QEQMGXGPSA-N
InChi (Click to copy)
InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-36-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-33-30-28-26-23-20-17-14-11-8-5-2/h21,24,27,29,32,34,38,41,47,50,62H,4-20,22-23,25-26,28,30-31,33,35-37,39-40,42-46,48-49,51-61H2,1-3H3/b24-21-,29-27-,34-32-,41-38-,50-47-/t62-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O

References

Other Databases