Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03060011
Common Name5-Oxo-ETE
Systematic Name5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms-
Exact Mass
318.2195 (neutral)    Calculate m/z:
FormulaC20H30O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Alternative ClassesUnsaturated fatty acids[FA0103], Oxo fatty acids[FA0106]
LIPIDBANK IDDFA8156
PubChem CID5283159
KEGG IDC14732
HMDB IDHMDB0010217
CHEBI ID52449
SWISSLIPIDS IDSLM:000501303
CAYMAN ID10007244
InChIKeyMEASLHGILYBXFO-XTDASVJISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h
6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
SMILESC(O)(=O)CCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCCC
MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
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