In-Silico Structure Database (LMISSD)

Common Name
TG(18:4(6Z,9Z,12Z,15Z)/24:4(5Z,8Z,11Z,14Z)/18:1(11Z))
Systematic Name
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(11Z-octadecenoyl)-sn-glycerol
LM ID
LMGL0301D4FJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.783290
Formula
C63H104O6
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)
FABPCOFRXMRQPG-BKSOVSIUSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17,20-21,24,26,28-29,31-32,34,36,39-40,43,45,48,60H,4-7,9-10,12-16,18-19,22-23,25,27,30,33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b11-8-,20-17-,24-21-,29-28-,32-31-,34-26-,39-36-,43-40-,48-45-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O

References

Other Databases