LBF20503SC01: Difference between revisions

Revision as of 00:00, 12 December 2008

Upper classes: LB LBF

Eicosapentanoic acid

Structural Information
	5, 8, 11, 14, 17-Eicosapentaenoic acid / 5, 8, 11, 14, 17-icosapentaenoic acid
	Eicosapentanoic acid

Formula	C20H30O2
Exact Mass	302.224580204
Average Mass	302.451
SMILES	`C(CC=CCC=CCC=CCC=CCCCC(O)=O)=CCC`
Physicochemical Information
	-54.4 to -53.8 °C


	1.4977 at 23 °C

	soluble in heptane and methyl alcohol.






Spectral Information
Mass Spectra	""METHYL ESTER:316,300,287,262,247,234,215,201,180,161,152 "" Karlsson_KA et al.
UV Spectra
IR Spectra
NMR Spectra	""METHYL ESTER:
Other Spectra
Chromatograms	Gas liquid chromatogram (provided by Dr. Akiko Horiuchi).

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference
n.a.	LBF20503SC01	See above.	Bang_HO et al. 1972
n.a.	LBF20503SC01	See above.	Dyerberg_J et al. 1978
n.a.	LBF20503SC01	See above.	Karlsson_KA et al. 1968
n.a.	LBF20503SC01	See above.	Sprecher_H et al. 1995

@@ Line 8: / Line 8: @@
 |Melting Point=-54.4 to -53.8 °C
 |Optical=1.4977 at 23 °C
-|Solubility=soluble in heptane and methyl alcohol.<<0265>><<0269>>
+|Solubility=soluble in heptane and methyl alcohol.
-|Mass Spectra=""METHYL ESTER:316,300,287,262,247,234,215,201,180,161,152 "" <<6056>>
+|Mass Spectra=""METHYL ESTER:316,300,287,262,247,234,215,201,180,161,152 "" [[Reference:Karlsson_KA:Samuelsson_BE:Steen_GO:,Acta Chem. Scand.,1968,22,1361|{{RelationTable/GetFirstAuthor|Reference:Karlsson_KA:Samuelsson_BE:Steen_GO:,Acta Chem. Scand.,1968,22,1361}}]]
 |NMR Spectra=""METHYL ESTER:
 |Chromatograms=Gas liquid chromatogram {{Image200|LBF20503SC01CH0001.gif}} (provided by Dr. Akiko Horiuchi).
 }}