LBF18207OX01

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8047
LipidMaps	LMFA01060072
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18207OX01

13-Oxo-9,11-Octadecadienoic Acid/13-Oxo-9,11-Octadecadienoate
Structural Information
Systematic Name	13-Oxo-9,11-Octadecadienoic Acid/13-Oxo-9,11-Octadecadienoate
Common Name	13-Oxo-9,11-Octadecadienoic Acid/13-Oxo-9,11-Octadecadienoate
Symbol
Formula	C18H30O3
Exact Mass	294.21949482599996
Average Mass	294.429
SMILES	CCCCCC(=O)C=CC=CCCCCCCCC(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 trimethylsilylation) HambergM Sessa_DJ et al. Frankel_EN et al. Gardner_HW et al.: m/e=308[M], 277[M-OCH3], 252[M-CH2=C H-CH2CH3], 237[M-(CH2)4CH3], 209[M-C(O)(CH2)4CH3], 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], 166[M-(CH2)6C(=O)OTMS]; REARRA
UV Spectra	lMeOH/max=277-278nm(e=20300) Gardner_HW et al. StreckertGet al. SchieberlePet al.(038/078/075), l EtOH /max=278nm Gardner_HW et al., lmax=267nm(cyclohexane) Sessa_DJ et al., DNP hydrazone: lCHCl3/max=388, 304, 265nm Garssen_GJ et al.
IR Spectra	Trans, trans unsaturations(strong absorption at 1000-990cm-1), cis, trans unsaturations(960-955cm-1), unsaturated ketone(1695-1600cm-1) Gardner_HW et al. StreckertGet al. SchieberlePet al. Sessa_DJ et al.
NMR Spectra	1H-NMR Gardner_HW et al. Sessa_DJ et al.: C8(2.20-2.23ppm), C9, 10, 12(6.06-6.21ppm), C11(7.02-7.51ppm) C14(2.54ppm)
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies ID Compound Name Reference Comment n.a. LBF18207OX01 See above. Frankel_EN et al. 1977 n.a. LBF18207OX01 See above. Fujimoto_K 1986 n.a. LBF18207OX01 See above. Gardner_HW et al. 1974 n.a. LBF18207OX01 See above. Gardner_HW et al. 1984 n.a. LBF18207OX01 See above. Garssen_GJ et al. 1971 n.a. LBF18207OX01 See above. Hamberg_M 1975 n.a. LBF18207OX01 See above. Schieberle_P et al. 1979 n.a. LBF18207OX01 See above. Sessa_DJ et al. 1977 n.a. LBF18207OX01 See above. Streckert_G et al. 1975 n.a. LBF18207OX01 See above. Yamamoto_Y et al. 1984 n.a. LBF18207OX01 See above. Yamamoto_Y et al. 1984