LBF18206OX01

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8046
LipidMaps	LMFA01060071
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18206OX01

9-Oxo-10,12-Octadecadienoic Acid/9-Oxo-10,12-Octadecadienoate
Structural Information
Systematic Name	9-Oxo-10,12-Octadecadienoic Acid/9-Oxo-10,12-Octadecadienoate
Common Name	9-Oxo-10,12-Octadecadienoic Acid/9-Oxo-10,12-Octadecadienoate
Symbol
Formula	C18H30O3
Exact Mass	294.21949482599996
Average Mass	294.429
SMILES	CCCCCC=CC=CC(=O)CCCCCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(after methanolysis and hydrogenation) SchieberlePet al. Sessa_DJ et al. Frankel_EN et al. Gardner_HW et al.: m/e=308[M], 277[M-OCH3], 237[M-(CH2)4CH3], 185[C(O)(CH2)6COOCH3], 166[CH3(CH2)4-CH=CH-CH=CH-C(OH)=CH2; Maclafferty transposition] 151[M-(CH2)7COOCH3]GC-EI-MS(TMS) Gardner_HW et al.: m/e=366[M], 341[M-CH3], 295[ [M-(CH2)4CH3], 276[M-HOTMS]
UV Spectra	l MeOH /max=277-278nm(e=20300),lmax=267nm(cyclohexane) Gardner_HW et al. StreckertGet al. SchieberlePet al. Sessa_DJ et al.
IR Spectra	Trans, trans unsaturations(strong absorption at 1000-990cm-1), trans,cis unsaturations(960-955cm-1), unsaturated ketone(1695-1600cm-1) Gardner_HW et al. StreckertGet al. SchieberlePet al. Sessa_DJ et al. Gardner_HW et al.
NMR Spectra	1H-NMR Gardner_HW et al. Sessa_DJ et al.: C8(2.54ppm), C10, 12, 13(6.06-6.21ppm), C11(7.02-7.51ppm), C14(2.20-2.23ppm)
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies ID Compound Name Reference Comment n.a. LBF18206OX01 See above. Frankel_EN et al. 1977 n.a. LBF18206OX01 See above. Fujimoto_K 1986 n.a. LBF18206OX01 See above. Gardner_HW et al. 1974 n.a. LBF18206OX01 See above. Gardner_HW et al. 1984 n.a. LBF18206OX01 See above. Schieberle_P et al. 1979 n.a. LBF18206OX01 See above. Sessa_DJ et al. 1977 n.a. LBF18206OX01 See above. Streckert_G et al. 1975 n.a. LBF18206OX01 See above. Yamamoto_Y et al. 1984 n.a. LBF18206OX01 See above. Yamamoto_Y et al. 1984