LBF20207PG01

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Upper classes: LB LBF



Prostaglandin A1
LBF20207PG01.png
Structural Information
Systematic Name 7- [2R- (3S -Hydroxy-trans-1-octenyl) -5-oxo-3-cyclopenten-1R -yl] heptanoic acid
Common Name
  • Prostaglandin A1
  • (8R,12S,13E,15S) -15-Hydroxy-9-oxo-10,13-prostadienoic acid
  • 7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-3-cyclopenten-1 (R) -yl ] heptanoic acid
Symbol PGA1
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_JE et al.
Boiling Point
Density
Optical Rotation ORD (H2O, C=0.0040g/ml) : 256(+35.000°), 220(-43.000°) Andersen_NH
Refractive Index
Solubility ETHANOL, CHLOROFORM Pike_JE et al., METHANOL Andersen_NH
Source Prostaglandin A1 is found in human seminal plasma Bergstrom_S .
Chemical Synthesis Pike_JE et al.
LBF20207PG01FT0001.gif
Metabolism
Biological Activity Prostaglandin A1 relaxes uterine muscle and shows hypotensive effects on rat and dog Bergstrom_S et al..
Genetic Information
Note
Spectral Information
Mass Spectra m/e, 336(M+), 318(M-18), 300(M-36), 265(M-71), 247, 219, 190 Pike_JE et al.
UV Spectra λ EtOH
max
   = 217nm( ε 11,650) Pike_JE et al.
IR Spectra NUJOL : ν 3420, 2740, 2700, 2660, 2600, 1715, 1700, 1585, 1275, 1200,1180, 1020, 720cm-1 Pike_JE et al.
NMR Spectra 1H-NMR(CDCl3, TMS) : δ , 7.52(dd, 1H), 6.17(dd, 1H), 5.6(m, 2H), 4.1(m, 1H, 15-CH), 3.25(12H) Pike_JE et al.
Other Spectra ORD(H2O, C=0.0040g/100ml), 256(+35, 000°), 220(-43,000°) Andersen_NH
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


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