LBF20406HO22

Upper classes: LB LBF

IDs and Links
LipidBank	XPR6114
LipidMaps	LMFA03060021
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20406HO22

(R) , (Z,E,Z,Z) -8-Hydroxy-5,9,11,14-eicosatetraenoic acid
Structural Information
Systematic Name	(R) , (Z,E,Z,Z) -8-Hydroxy-5,9,11,14-eicosatetraenoic acid
Common Name	(R) , (Z,E,Z,Z) -8-Hydroxy-5,9,11,14-eicosatetraenoic acid
Symbol
Formula	C20H32O3
Exact Mass	320.23514489
Average Mass	320.46628
SMILES	C(CC=CCC=CC=C[C@H](CC=CCCCC(O)=O)O)CCC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	ETHYL ACETATE Bundy_GL et al.
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	METHYL ESTER, TMS ETHER ; m/e 265 Bundy_GL et al.. 8(S)-ISOMER METHYL ESTER TMS ETHER ; m/e 406, 391, 316, 265, 243 YadagiriPet al.
UV Spectra	METHYL ESTER ; l max = 235.8nm (e 28,000) Bundy_GL et al.
IR Spectra
NMR Spectra	8(S)-ISOMER METHYL ESTER ; 1H-NMR(CDCl3) : d 6.56(dd, J=14.5, 11.1Hz, 1H, 10-CH), 6.00(brt, J=11.1, 9.7Hz, 1H, 11-CH), 5.72(dd, J=7.3, 14.5Hz, 1H, 9-CH), 5.59-5.16(m, 5H), 4.23(q, 1H,8-CH), 3.71(s, 3H,OCH3), 2.95(t, 2H,13-CH), 2.35(t, 4H, 4,7-CH), 2.11(sextet, 4H), 1.73(pentet, 2H, 3-CH), 1.56(brs, S, 1H, OH), 1.32(m, 6H), 0.91(t, 3H, 20-CH) YadagiriPet al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20406HO22 See above. Bundy_GL et al. 1986 n.a. LBF20406HO22 See above. Meijer_L et al. 1986 n.a. LBF20406HO22 See above. Yadagiri_P et al. 1986