LBF18203HP04

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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	DFA8074
LipidMaps	LMFA01040055
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18203HP04

Methyl-10,13-epdioxy-9-hydroperoxy-11,15-octadecadienoate
Structural Information
Systematic Name	Methyl-10,13-epdioxy-9-hydroperoxy-11,15-octadecadienoic acid
Common Name	Methyl-10,13-epdioxy-9-hydroperoxy-11,15-octadecadienoate
Symbol
Formula	C19H32O6
Exact Mass	356.219888756
Average Mass	356.45378
SMILES	CCC=CCC(C=1)OOC(C1)C(OO)CCCCCCCC(=O)OC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	It is produced from a 9-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]; 259[SMTO=CH(CH2)7COOCH3]; 153[M-259]; 69[CH2CH=CHCH2CH3]; 55[CH=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)(106): m/e=457[M-CH3-HOTMS]
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: 1.6ppm; C9: 4.22ppm; C10: 4.65ppm; C11, 12: 5.98ppm; C13: 4.48ppm; C14: 2.0ppm; C15, 16: 5.45ppm; C17: 2.05ppm; OOH: 8.65ppm
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18203HP04 See above. Frankel_EN 1984 n.a. LBF18203HP04 See above. Neff_WE et al. 1984