In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(7E,10E,13E,16E)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-(7E,10E,13E,16E-eicosatetraenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
LM ID
LMGL0301GKPO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
952.751990
Formula
C63H100O6
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)
MMVOJHCFOBBQCM-DIRBLCAYSA-N
InChi (Click to copy)
InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h11,14,16,18-21,23,25,27-29,31-34,37-38,40-42,45,60H,4-10,12-13,15,17,22,24,26,30,35-36,39,43-44,46-59H2,1-3H3/b14-11+,19-16-,21-18-,23-20+,28-25-,32-29+,33-31-,34-27-,40-37+,41-38-,45-42-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O

References

Other Databases