LBF20308PG03

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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	XPR1911
LipidMaps	-
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20308PG03

7- [ 2 (E) - (3 (S) -Hydroxyoctylidene) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
Structural Information
Systematic Name	7- [ 2 (E) - (3 (S) -Hydroxyoctylidene) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
Common Name	7- [ 2 (E) - (3 (S) -Hydroxyoctylidene) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
Symbol	Delta 12-PGJ2
Formula	C20H30O4
Exact Mass	334.21440944799997
Average Mass	334.4498
SMILES	C(CC[C@@H](O)CC=C(C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	METHANOL Fitzpatrick_FA et al.ETHANOL, CHLOROFORM, ETHYL ACETATE KikawaYet al.
Source
Chemical Synthesis	Bundy_GL et al.
Metabolism	In human plasma prostaglandin D2 is dehydrated and converted to 9-deoxy- Delta 9,12-13,14-dihydro-prostaglandin D2 ( Delta 12-prostaglandin J2) catalyzedby serum albumin Narumiya_S et al..
Biological Activity	Delta 12-Prostaglandin J2 is considered to be an ultimate metabolite of prostaglandin D2 with anti-tumor and anti-viral activities Narumiya_S et al.. The compound has no cell surface recptor, but is transported into cells and then inot nuclei. The biological activities of Delta 12-prostaglandin J2 are due to the syntheses of various proteins including heat shock proteins, gamma -glutamylcysteine synthetase, collagen and heme oxygenase Negishi_M et al..
Genetic Information
Note
Spectral Information
Mass Spectra	m/e 334(M+), 316, 245, 236 KikawaYet al.
UV Spectra	λ E m ax = 244( ε 6100)nm KikawaYet al.
IR Spectra	ν  : 2930, 1700, 1640, 1580, 1232, 028 cm-1 KikawaYet al.
NMR Spectra	1H-NMR(CDCl3) : δ 7.5(dd, 1H, 9-CH), 6.56(t, 1H, 13-CH), 6.35(dd,1 H, 10-CH), 5.48(m, 2H, 5,6-CH), 3.88(m, 1H, 15-CH), 3.44(m, 1H, 8-CH) KikawaYet al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20308PG03 See above. Bundy_GL et al. 1983 n.a. LBF20308PG03 See above. Fitzpatrick_FA et al. 1983 n.a. LBF20308PG03 See above. Kikawa_Y et al. 1984 n.a. LBF20308PG03 See above. Narumiya_S et al. 1985 n.a. LBF20308PG03 See above. Negishi_M et al. 1995