LBF12102PG01

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Fatty acid (脂肪酸)

Glycerolipid (グリセロ脂質)

Sphingolipid (スフィンゴ脂質)

Journals (雑誌一覧)

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Upper classes: LB LBF

IDs and Links
LipidBank	DFA8095
LipidMaps	LMFA01050152
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF12102PG01

Methyl-4- [2- (2-formyl-vinyl) -3-hydroxy5-oxo-cyclopentyl] -butanoic acid
Structural Information
Systematic Name	Methyl-4- [2- (2-formyl-vinyl) -3-hydroxy5-oxo-cyclopentyl] -butanoic acid
Common Name	Methyl-4- [2- (2-formyl-vinyl) -3-hydroxy5-oxo-cyclopentyl] -butanoic acid
Symbol
Formula	C13H18O5
Exact Mass	254.11542368599999
Average Mass	254.27902
SMILES	O=CC=CC(C(O)1)C(CCCC(=O)OC)C(=O)C1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	It is produced from oxidation of 8-hydroperoxides of arachidonic acid Nakamura_T et al..
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(Me-ester; after reduction WITH NaBH4 and TMS-derivatization) NakamuraTet al.: m/e=459[M-CH3]; 443[M-OCH3]; 384[M-HOTMS]; 373[M-(CH2)3COOCH3]; 358[459-(CH2)3COOCH3]; 294[M-2xHOTMS]; 255[M-SMTOC3H5OTMS]; 243[SMTOC5H5OTMS]; 191[SMTOCHOTMS]; 167[C6H6OTMS]
UV Spectra
IR Spectra	OH group: 3500cm-1; five-membered ring ketone: 1740cm-1; ester corbonyl: 1730cm-1; conjugated aldehyde: 1690cm-1; trans unsaturation: 980cm-1 NakamuraTet al.
NMR Spectra
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF12102PG01 See above. Nakamura_T et al. 1988