LBF18104HP01

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Fatty acid (脂肪酸)

Glycerolipid (グリセロ脂質)

Sphingolipid (スフィンゴ脂質)

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Upper classes: LB LBF

IDs and Links
LipidBank	DFA8076
LipidMaps	LMFA01040057
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18104HP01

Methyl-10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoic acid
Structural Information
Systematic Name	Methyl-10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoic acid
Common Name	Methyl-10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoic acid
Symbol
Formula	C19H32O8
Exact Mass	388.20971799999995
Average Mass	388.45258
SMILES	C(C(O2)CC(O2)C(OO)CCCCCCCC(=O)OC)(C=1)OOC(CC)C1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	It is produced from 10,12-epidioxy-9-hydroperoxides by singlet-oxygen mediated oxidation of 12-peroxyradical linoleate via 1,3-cyclization Frankel_EN Neff_WE et al..
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(after reduction(PH3P) and TMS-derivatization) Neff_WE et al.: m/e=259[SMTO=CH(CH2)7COOCH3]; 185[M-259]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization) Neff_WE et al.: m/e=389[M-259-HOTMS]; 387[M-261-HOTMS]; 297[387-HOTMS]
UV Spectra
IR Spectra
NMR Spectra	1H-NMR Neff_WE et al.: C8: 1.6ppm; C9: 4.08ppm; C10, 12, 13, 16: 4.45ppm; C11: 2.1-2.7ppm; C14, 15: 5.68ppm; OOH: 8.45ppm
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18104HP01 See above. Frankel_EN 1984 n.a. LBF18104HP01 See above. Neff_WE et al. 1984