LBF18205HP01

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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	DFA8075
LipidMaps	LMFA01040056
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18205HP01

Methyl-12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate
Structural Information
Systematic Name	Methyl-12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoic acid
Common Name	Methyl-12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate
Symbol
Formula	C19H34O6
Exact Mass	358.23553882
Average Mass	358.46966000000003
SMILES	COC(=O)CCCCCCCCCCC(C=1)OOC(C1)C(CC)OO
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	It is produced from a 16-hydroperoxide isomer of linoleate by 1,4-adduct of singlet-oxygen 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=412[M]; 322[M-HOTMS]; 281[M-131]; 197[CH2CH=CH(CH2)7COOCH3]; 183[CH=CH(CH2)7COOCH3]; 131[SMTO=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation and TMS-derivatization) Neff_WE et al.
UV Spectra
IR Spectra	OOH group: 3635-3300cm-1[bonded]; olefinic protons: 3005cm-1; isolated trans unsaturation: 965cm-1 Neff_WE et al.
NMR Spectra	1H-NMR Neff_WE et al.: C8: 2.05ppm; C9, 10: 5.45ppm; C11: 2.0ppm; C12: 4.48ppm; C13, 14: 5.98ppm; C15: 4.65ppm; C16: 4.22ppm; C17: 1.6ppm; OOH: 8.65ppm
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18205HP01 See above. Frankel_EN 1984 n.a. LBF18205HP01 See above. Neff_WE et al. 1984