LBF18107OX01

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Fatty acid (脂肪酸)

Glycerolipid (グリセロ脂質)

Sphingolipid (スフィンゴ脂質)

Journals (雑誌一覧)

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Upper classes: LB LBF

IDs and Links
LipidBank	DFA8041
LipidMaps	LMFA01060068
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18107OX01

13-Hydroxy-9-Oxo-11-Octadecenoic Acid
Structural Information
Systematic Name	13-Hydroxy-9-Oxo-11-Octadecenoic Acid
Common Name	13-Hydroxy-9-Oxo-11-Octadecenoic Acid
Symbol
Formula	C18H32O4
Exact Mass	312.23005951199997
Average Mass	312.44428
SMILES	CCCCCC(O)C=CCC(=O)CCCCCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	A degradation product of hydroperoxylinoleate in the presence of Fe(III)-cystein[the double bond shows trans configuration] Gardner_HW et al. Gardner_HW et al.. A bitter substance in lecithin Sessa_DJ et al.. Production mechanism. Oxidative products of 13-hydroperoxylinoleate Gardner_HW et al..
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al. Sessa_DJ et al. Gardner_HW et al.: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 241[M-(CH2)7COOCH3], 199[CH2CO(CH2)7COOCH3], 185[CO(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3]GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation) Gardner_HW et al.
UV Spectra
IR Spectra	Metyl ester(CS2): isolated trans olefin(970cm-1), keto carbonyl(1717cm-1), OH(3460cm-1) Gardner_HW et al. Sessa_DJ et al.
NMR Spectra	1H-NMR(methyl ester, trans ene) Gardner_HW et al.: C2, 8(2.33ppm), C10(3.11ppm), C11(5.7ppm) C12(5.56ppm), C13(4.08ppm)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18107OX01 See above. Gardner_HW et al. 1979 n.a. LBF18107OX01 See above. Gardner_HW et al. 1974 n.a. LBF18107OX01 See above. Gardner_HW et al. 1984 n.a. LBF18107OX01 See above. Sessa_DJ et al. 1977