In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(5E,8E,11E,14E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
Systematic Name
1-(5E,8E,11E,14E-eicosatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL0301FVYH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
924.720690
Formula
C61H96O6
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)
CVASUUQYQOXYSJ-WIOKQRBWSA-N
InChi (Click to copy)
InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,30,32-33,36-37,40,42,45-46,49,58H,4-6,8-9,11-15,18,22-23,29,31,34-35,38-39,41,43-44,47-48,50-57H2,1-3H3/b10-7-,19-16-,20-17+,24-21-,27-25-,28-26+,32-30-,36-33+,40-37-,45-42+,49-46-/t58-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O

References

Other Databases