LBF20207PG01

Upper classes: LB LBF

IDs and Links
LipidBank	XPR1000
LipidMaps	LMFA03010005
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20207PG01

PROSTAGLANDIN A1
Structural Information
Systematic Name	7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-3-cyclopenten-1 (R) -yl ] heptanoic acid / (8R,12S,13E,15S) -15-Hydroxy-9-oxo-10,13-prostadienoic acid
Common Name	PROSTAGLANDIN A1 7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-3-cyclopenten-1 (R) -yl ] heptanoic acid (8R,12S,13E,15S) -15-Hydroxy-9-oxo-10,13-prostadienoic acid
Symbol
Formula	C20H32O4
Exact Mass	336.23005951199997
Average Mass	336.46567999999996
SMILES	C(CC[C@@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)C=CC(=O)1)CC
Physicochemical Information
Melting Point	42-44°C Pike_J_E et al.
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	ETHANOL, CHLOROFORM Pike_JEet al., METHANOL Andersen_NH
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	m/e, 336(M+), 318(M-18), 300(M-36), 265(M-71), 247, 219, 190 Pike_JEet al.
UV Spectra	l EtOHmax = 217nm(e 11,650) Pike_JEet al.
IR Spectra	NUJOL : n 3420, 2740, 2700, 2660, 2600, 1715, 1700, 1585, 1275, 1200,1180, 1020, 720cm-1 Pike_JEet al.
NMR Spectra	1H-NMR(CDCl3, TMS) : d, 7.52(dd, 1H), 6.17(dd, 1H), 5.6(m, 2H), 4.1(m, 1H, 15-CH), 3.25(12H) Pike_JEet al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20207PG01 See above. Andersen_NH 1969 n.a. LBF20207PG01 See above. Bergstrom_S 1967 n.a. LBF20207PG01 See above. Bergstrom_S et al. 1968 n.a. LBF20207PG01 See above. Pike_JE et al. 1969