LBF20307PG38

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Fatty acid (脂肪酸)

Glycerolipid (グリセロ脂質)

Sphingolipid (スフィンゴ脂質)

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Upper classes: LB LBF

IDs and Links
LipidBank	XPR1901
LipidMaps	LMFA03010019
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20307PG38

Prostaglandin J2
Structural Information
Systematic Name	7- [2R- (3S-hydroxy-trans-1-octenyl) -3-oxo-4-cyclopenten-1R-yl] -cis-5-heptenoic acid
Common Name	Prostaglandin J2 7- [2R- (3S-Hydroxy-1-(E)-octenyl) -3-oxo-4-cyclopenten-1R-yl] -5-(Z)-heptenoic acid
Symbol	PGJ2
Formula	C20H30O4
Exact Mass	334.21440944799997
Average Mass	334.4498
SMILES	C(CC[C@@H](O)C=C[C@@H](C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	ACETONITRILE Mubarik-AliSet al., CHLOROFORM, ETHANOL Bundy_GL et al.
Source
Chemical Synthesis	Bundy_GL et al.
Metabolism	In aqueous solution prostaglandin D2 undergoes non-enzymatic dehydration and is converted to prostaglandin J2 Fukushima_M .
Biological Activity	The anti-tumor and anti-viral activities of prostaglandin J2 are attributed to Delta 12-prostaglandin J2 which is a degradation product of prostagladnin J2 and is characteristic of its alkylidene cyclopentenone structure Fukushima_M .
Genetic Information
Note
Spectral Information
Mass Spectra	TMS ETHER ; M+ 478.2934 Bundy_GL et al.
UV Spectra	λ MeOH max     = 305( ε 1200), 216( ε 9900)nm Bundy_GL et al.
IR Spectra	ν 3400, 3200, 2660, 1710, 1085, 970 cm-1 Bundy_GL et al.
NMR Spectra	1H-NMR(CDCl3) : δ 7.75-7.55(m, 1H, 9-CH), 6.30-6.10(m, 1H, 10-CH), 5.90(brs, 2H, OH), 5.75-5.35(m, 4H), 4.30-3.95(m, 1H, 15-CH) Bundy_GL et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20307PG38 See above. Bundy_GL et al. 1983 n.a. LBF20307PG38 See above. Fukushima_M 1992 n.a. LBF20307PG38 See above. Mubarik-Ali_S et al. 1980