LBF18104HP02

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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
DFA8070
LipidMaps
LMFA01040054
CAS
KEGG
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KNApSAcK
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LBF18104HP02.mol

Methyl-8- [ 3,5-epidioxy-2- (3-hydroperoxy-1-pentenyl) cyclopentyl ] octanoic acid
Structural Information
Systematic Name	Methyl-8- [ 3,5-epidioxy-2- (3-hydroperoxy-1-pentenyl) cyclopentyl ] octanoic acid
Common Name	Methyl-8- [ 3,5-epidioxy-2- (3-hydroperoxy-1-pentenyl) cyclopentyl ] octanoic acid
Symbol
Formula	C19H32O6
Exact Mass	356.219888756
Average Mass	356.45378
SMILES	C(C2CCCCCCCC(=O)OC)(O1)CC(C2C=CC(CC)OO)O1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	Photoenhancement of linoleate peroxidation(TypeII) Frankel_EN Frankel_EN Neff_WE et al.. It is produced from a 12-peroxyradical of linoleate via 1,3-cyclization Frankel_EN Frankel_EN Neff_WE et al..
Chemical Synthesis
Metabolism
Biological Activity	It reacts with DNA in the presence of Fe ions and ascorbic acid Fujimoto_K et al..
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(after reduction and hydrogenation and TMS-derivatization) Neff_WE et al.: m/e=545[M-CH3]; 455[545-HOTMS]; 401[M-(CH2)2CH(OTMS)CH2CH3]; 131[SMTO=CHCH2CH3]
UV Spectra
IR Spectra	OOH group: 3620-3010cm-1[bonded], 3520cm-1[free]; isolated trans unsaturation: 960cm-1 Neff_WE et al.
NMR Spectra
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18104HP02 See above. Frankel_EN 1987 n.a. LBF18104HP02 See above. Frankel_EN 1984 n.a. LBF18104HP02 See above. Fujimoto_K et al. 1984 n.a. LBF18104HP02 See above. Neff_WE et al. 1982