LBF18203HP03

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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	DFA8059
LipidMaps	LMFA01040043
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18203HP03

Methyl-13,15-Epidioxy-12-Hydroperoxy-9,16-Octadecadienoate
Structural Information
Systematic Name	Methyl-13,15-Epidioxy-12-Hydroperoxy-9,16-Octadecadienoate
Common Name	Methyl-13,15-Epidioxy-12-Hydroperoxy-9,16-Octadecadienoate
Symbol
Formula	C19H32O6
Exact Mass	356.219888756
Average Mass	356.45378
SMILES	C(O1)(CC(C=CC)O1)C(OO)CC=CCCCCCCCC(=O)OC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	Photoenhancemant of linoleate peroxydation[Type II] Neff_WE et al.. Production of 10-hydroperoxyradical by singlet-oxygen mediated oxydation of linolate 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=307[M-CH3- HOTMS]; 299[SMTO=CHCH2CH=CH(CH2)7COOCH3]; 113[M-299]; GC-EI-MS(after reduction, hydrogenation and TMS-derivatization) Neff_WE et al.: m/e=457[M-CH3-HOTMS]
UV Spectra
IR Spectra	OOH GROUP: 3660-3150cm-1[bonded], 3520cm-1[free]; olefinic protons: 3020-3002cm-1; isolated trans unsaturation: 960cm-1 Neff_WE et al.
NMR Spectra	1H-NMR Neff_WE et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18203HP03 See above. Frankel_EN 1984 n.a. LBF18203HP03 See above. Fujimoto_K et al. 1984 n.a. LBF18203HP03 See above. Neff_WE et al. 1982