LBF20307HP02

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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	DFA8093
LipidMaps	LMFA03050014
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20307HP02

Methyl-6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoic acid
Structural Information
Systematic Name	Methyl-6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoic acid
Common Name	Methyl-6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoic acid
Symbol
Formula	C21H34O8
Exact Mass	414.225368064
Average Mass	414.48986
SMILES	C(CCC(OO)C=CC=CC=CC(C1)OOC1C(OO)CCCC(OC)=O)CC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	In degradation products of 15-hydroperoxides of arachidonic acid in the presence of Fe(III)-ascorbic acid. Oxidation of arachidonic acid in the presence of Fe(III)-ascorbic acid Yamagata_S et al..
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(after reduction, hydrogenation and TMS-derivatization) YamagataSet al.: m/e=517[M-(CH2)4CH3-HOTMS]; 427[M-(CH2)4CH3-2xHOTMS]; 385[M-SMTO=CH(CH2)3COOCH3-HOTMS]; 359[SMTO=CH(CH2)6CH(OTMS)(CH2)4CH3]; 337[M-(CH2)4CH3-3xHOTMS]
UV Spectra
IR Spectra
NMR Spectra
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20307HP02 See above. Yamagata_S et al. 1983