LBF20107PG01

Upper classes: LB LBF

IDs and Links
LipidBank	XPR1400
LipidMaps	LMFA03010134
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20107PG01

PROSTAGLANDIN E1
Structural Information
Systematic Name	7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -5-oxocyclopentan-1 (R) -yl ] -heptanoic acid / (8R,11R,12R,13E,15S) -11,15-Dihydroxy-9-oxo-13-prostenoic acid
Common Name	PROSTAGLANDIN E1 7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -5-oxocyclopentan-1 (R) -yl ] -heptanoic acid (8R,11R,12R,13E,15S) -11,15-Dihydroxy-9-oxo-13-prostenoic acid
Symbol
Formula	C20H34O5
Exact Mass	354.240624198
Average Mass	354.48096000000004
SMILES	C(CC[C@@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)[C@@H](CC1=O)O)CC
Physicochemical Information
Melting Point	115-117°C
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	DIETHYL ETHER, ETHYL ACETATE , METHANOL Struijk_MCB et al., TETRAHYDROFURAN Corey_EJ et al.
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	METHYL ESTER ; m/e 350, 332, 319, 301, 279 HambergMet al.
UV Spectra
IR Spectra	METHYL ESTER ; n 1726, 1717sh, 1699, 980 cm-1 HayashiMet al.
NMR Spectra	1H-NMR(CDCl3+DMSO-d6,TMS) : d 5.70-5.51(m, 2H), 4.14-3.86(m, 2H), 2.72(d,d, 1H) HayashiMet al.. 13C-NMR(CHCl3-CH3OH, TMS) : d 215.2(C-9), 176.7(C-1), 136.6(C-14), 131.9(C-13), 72.9(C-15), 71.6(C-11), 54.6(C-8), 54.2(C-12), 45.9(C-10), 36.9(C-16), 33.8(C-2), 31.5(C-18), 29.0(C-4), 28.6(C-5), 27.4(C-7), 26.3(C-6), 25.0(C-17), 24.5(C-3), 22.5(C-19), 13.8(C-20) LukacsGet al.
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies ID Compound Name Reference Comment n.a. LBF20107PG01 See above. Bergstrom_S 1967 n.a. LBF20107PG01 See above. Bergstrom_S et al. 1968 n.a. LBF20107PG01 See above. Bergstrom_S et al. 1960 n.a. LBF20107PG01 See above. Corey_EJ et al. 1969 n.a. LBF20107PG01 See above. Hamberg_M et al. 1966 n.a. LBF20107PG01 See above. Hayashi_M et al. 1975 n.a. LBF20107PG01 See above. Horton_EW 1965 n.a. LBF20107PG01 See above. Horton_EW 1969 n.a. LBF20107PG01 See above. Horton_EW et al. 1966 n.a. LBF20107PG01 See above. Karim_SM et al. 1968 n.a. LBF20107PG01 See above. Karim_SM et al. 1967 n.a. LBF20107PG01 See above. Kirtland_SJ 1988 n.a. LBF20107PG01 See above. Lukacs_G et al. 1973 n.a. LBF20107PG01 See above. Ogino_N et al. 1977 n.a. LBF20107PG01 See above. Speroff_L et al. 1970 n.a. LBF20107PG01 See above. Struijk_MCB et al. 1966