In-Silico Structure Database (LMISSD)

Common Name
TG(O-16:0/24:4(5Z,8Z,11Z,14Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-hexadecyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL03029JN9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
944.819675
Formula
C63H108O5
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)
FGGMMWLQBLKJAI-VELIHNTHSA-N
InChi (Click to copy)
InChI=1S/C63H108O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-36-34-29-26-23-20-17-14-11-8-5-2/h11,14,20,23,28-30,32-34,37-39,41,45,48,61H,4-10,12-13,15-19,21-22,24-27,31,35-36,40,42-44,46-47,49-60H2,1-3H3/b14-11+,23-20+,30-28-,33-32-,34-29+,39-37-,41-38+,48-45-/t61-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COCCCCCCCCCCCCCCCC

References

Other Databases