Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03060057
Common Name8-oxo-5E,9Z,11Z,14Z-eicosatetraenoic acid
Systematic Name8-oxo-5E,9Z,11Z,14Z-eicosatetraenoic acid
Synonyms5,9,11,14-Eicosatetraenoic acid, 8-oxo-, (E,Z,Z,Z)-
Exact Mass
318.2195 (neutral)    Calculate m/z:
FormulaC20H30O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
LIPIDAT ID4637
PubChem CID5312977
SWISSLIPIDS IDSLM:000000968
InChIKeyULAXHDZCBOQYGV-XXSSMXECSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h
6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11+,16-13-
SMILESC(CCC/C=C/CC(=O)/C=C\C=C/C/C=C\CCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
365.09Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.40Molar
Refractivity
96.43