LBF16000PG01: Difference between revisions

Revision as of 00:00, 12 December 2008

Upper classes: LB LBF

PROSTAGLANDIN E-MAJOR URINARY METABOLITE

Structural Information
	8- [ 2 (R) - (2-Carboxyethyl) -5 (R) -hydroxy-3-oxocyclopentan-1 (R) -yl ] -6-oxooctanoic acid
	PROSTAGLANDIN E-MAJOR URINARY METABOLITE

Formula	C16H24O7
Exact Mass	328.152203122
Average Mass	328.35756000000003
SMILES	`OC(=O)CCCCC(=O)CC[C@@H]([C@H](O)1)[C@@H](CCC(O)=O)C(=O)C1`
Physicochemical Information





	ETHYL ACETATE Hamberg_Met al.






Spectral Information
Mass Spectra	DIMETHYL ESTER DI-O-METHYLOXIME TMS ETHER DERIVATIVE ; m/e 486, 455, 369, 365, 355, 286, 279, 268, 265, 196, 115 Hamberg_Met al.
UV Spectra
IR Spectra
NMR Spectra
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference	Comment
n.a.	LBF16000PG01	See above.	Hamberg_M et al. 1969
n.a.	LBF16000PG01	See above.	Hamberg_M et al. 1971

@@ Line 6: / Line 6: @@
 |SysName=8- [ 2 (R) - (2-Carboxyethyl) -5 (R) -hydroxy-3-oxocyclopentan-1 (R) -yl ] -6-oxooctanoic acid
 |Common Name=&&PROSTAGLANDIN E-MAJOR URINARY METABOLITE&&
-|Solubility=ETHYL ACETATE <<1061>>
+|Solubility=ETHYL ACETATE [[Reference:Hamberg_M:Samuelsson_B:,J. Am. Chem. Soc.,1969,91,2177|{{RelationTable/GetFirstAuthor|Reference:Hamberg_M:Samuelsson_B:,J. Am. Chem. Soc.,1969,91,2177}}]]
-|Mass Spectra=DIMETHYL ESTER DI-O-METHYLOXIME TMS ETHER DERIVATIVE ; m/e 486, 455, 369, 365, 355, 286, 279, 268, 265, 196, 115 <<1061>>
+|Mass Spectra=DIMETHYL ESTER DI-O-METHYLOXIME TMS ETHER DERIVATIVE ; m/e 486, 455, 369, 365, 355, 286, 279, 268, 265, 196, 115 [[Reference:Hamberg_M:Samuelsson_B:,J. Am. Chem. Soc.,1969,91,2177|{{RelationTable/GetFirstAuthor|Reference:Hamberg_M:Samuelsson_B:,J. Am. Chem. Soc.,1969,91,2177}}]]
 }}