LBF20107PG02

Upper classes: LB LBF

IDs and Links
LipidBank	XPR1430
LipidMaps	LMFA03010012
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20107PG02

6-KETO-PROSTAGLANDIN E1
Structural Information
Systematic Name	7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -5-oxocyclopentan-1 (R) -yl ] -6-oxoheptanoic acid
Common Name	6-KETO-PROSTAGLANDIN E1
Symbol
Formula	C20H32O6
Exact Mass	368.219888756
Average Mass	368.46448
SMILES	C(CC[C@@H](O)C=C[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C@@H](CC1=O)O)CC
Physicochemical Information
Melting Point	65°C Tanaka_T et al.
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	METHANOL, CHLOROFORM TanakaTet al.
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	DIRECT EXPOSURE AMMONIA CI, POSITIVE : 386(M++18), 368(M+), 351, 350, 244, 136. NEGATIVE : 368(M+) ,350, 338, 332 Cepa_SR et al.
UV Spectra
IR Spectra	KBr: n 3400, 1740, 1720, 1710, 1245, 1160, 1075, 970 cm-1 TanakaTet al.
NMR Spectra	1H-NMR(CDCl3) : d 5.58(m, 2H, 13,14-CH), 4.09(m, 1H, 11-CH), 4.02(m, 1H, 15-CH), 2.7(2H, 7-CH), 2.69(IH, 10b-CH), 2.45-2.47(m, 3H, 5,8,12-CH), 2.29(1H, 10a-CH), 2.28(2H, 2-CH), 1.58 - 1.32(12H), 0.91(t, 3H, 20-CH3) KotovychGet al.. METHYL ESTER ; 13C-NMR(CDCl3) : 216.6, 208.4, 173.8, 138.0, 126.5, 72.3, 51.5, 44.6, 45.7, 42.4, 37.6, 33.8, 31.8, 25.2, 24.5, 23.4, 22.6, 14.0 TanakaTet al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20107PG02 See above. Cepa_SR et al. 1984 n.a. LBF20107PG02 See above. Kotovych_G et al. 1982 n.a. LBF20107PG02 See above. Moore_PK et al. 1983 n.a. LBF20107PG02 See above. Tanaka_T et al. 1987 n.a. LBF20107PG02 See above. Wong_PY et al. 1980