LBF20207PG02

Upper classes: LB LBF

IDs and Links
LipidBank	XPR1100
LipidMaps	LMFA03010131
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20207PG02

PROSTAGLANDIN B1
Structural Information
Systematic Name	7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-1-cyclopenten-1-yl ] heptanoic acid / (E,S) -15-Hydroxy-9-oxo-8 (12) ,13-prostadienoic acid
Common Name	PROSTAGLANDIN B1 7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-1-cyclopenten-1-yl ] heptanoic acid (E,S) -15-Hydroxy-9-oxo-8 (12) ,13-prostadienoic acid
Symbol
Formula	C20H32O4
Exact Mass	336.23005951199997
Average Mass	336.46567999999996
SMILES	C(CC[C@@H](O)C=CC(=C1CCCCCCC(O)=O)CCC(=O)1)CC
Physicochemical Information
Melting Point	70-71°C Ramwell_PW et al.
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	METHYL ESTER ; m/e 350(M+), 332, 319, 301, 251, 219 Struijk_MCB et al.
UV Spectra	l max = 278nm(e 28,650) Jones_RL
IR Spectra	5.91, 6.10, 6.27, 10.3mm HambergMet al.
NMR Spectra	1H-NMR :d 6.87(d, J=16Hz, 1H, 13-CH), 6.25(d,d, J=16.6Hz, 1H, 14-CH), 4.38(1H, 15-CH) CollinsPet al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20207PG02 See above. Bergstrom_S 1967 n.a. LBF20207PG02 See above. Collins_P et al. 1968 n.a. LBF20207PG02 See above. Hamberg_M et al. 1966 n.a. LBF20207PG02 See above. Jones_RL 1972 n.a. LBF20207PG02 See above. Ramwell_PW et al. 1971 n.a. LBF20207PG02 See above. Struijk_MCB et al. 1966