LBF20307HP01

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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	DFA8092
LipidMaps	LMFA03050013
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF20307HP01

Methyl-9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoic acid
Structural Information
Systematic Name	Methyl-9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoic acid
Common Name	Methyl-9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoic acid
Symbol
Formula	C21H34O8
Exact Mass	414.225368064
Average Mass	414.48986
SMILES	C(CCC(OO)C=CC(OO)C(O1)CC(C=CC=CCCCC(OC)=O)O1)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]; 483[M-CH3-2xHOTMS]; 467[M-OCH3-2xHOTMS]; 431[M-(CH2)7COOCH3-HOTMS]; 427[517-HOTMS]; 341[431-HOTMS]; 375[SMTO=CHCH2CH(OTMS)(CH2)7COOCH3]
UV Spectra
IR Spectra
NMR Spectra
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF20307HP01 See above. Yamagata_S et al. 1983