LBF20308PG03

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
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
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	m/e 334(M+), 316, 245, 236 KikawaYet al.
UV Spectra	l EtOHmax = 244(e 6100)nm KikawaYet al.
IR Spectra	n : 2930, 1700, 1640, 1580, 1232, 028 cm-1 KikawaYet al.
NMR Spectra	1H-NMR(CDCl3) : d 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