LBF18108HP03

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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	DFA8077
LipidMaps	LMFA01040058
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18108HP03

Methyl-9,12,13,15-bisepidioxy-16-hydroperoxy-10-octadecenoate
Structural Information
Systematic Name	Methyl-9,12,13,15-bisepidioxy-16-hydroperoxy-10-octadecenoic acid
Common Name	Methyl-9,12,13,15-bisepidioxy-16-hydroperoxy-10-octadecenoate
Symbol
Formula	C19H32O8
Exact Mass	388.20971799999995
Average Mass	388.45258
SMILES	C(O1)(C(CC)OO)CC(C(C=2)OOC(CCCCCCCC(=O)OC)C2)O1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	It is produced from 13,15-epidioxy-16-hydroperoxides by 1,4-adduct of singlet-oxygen mediated oxidation of 13-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=313[M-131]; 131[SMTO=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization) Neff_WE et al.: m/e=389[SMTO=CH(CH2)2CH(OTMS)(CH2)7COOCH3]; 299[389-HOTMS]; 259[SMTO=CH(CH2)7COOCH3]
UV Spectra
IR Spectra
NMR Spectra	1H-NMR Neff_WE et al.: C9, 12, 13, 15: 4.45ppm; C10, 11: 5.68ppm; C14: 2.1-2.7ppm; C16: 4.08 ppm; C17: 1.6ppm; OOH: 8.45ppm
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18108HP03 See above. Frankel_EN 1984 n.a. LBF18108HP03 See above. Neff_WE et al. 1984