Structure database (LMSD)

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LM IDLMFA03060068
Common Name11-oxo-5E,8Z,12Z,14Z-Eicosatetraenoic acid
Systematic Name11-oxo-5E,8Z,12Z,14Z-Eicosatetraenoic acid
Synonyms5,8,12,14-Eicosatetraenoic acid, 11-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]
Alternative ClassesUnsaturated fatty acids[FA0103], Oxo fatty acids[FA0106]
LIPIDAT ID4646
PubChem CID16061117
InChIKeySFIBXKABWRNYKQ-IITLTHAWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h
6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7-,14-11-,16-13-
SMILESC(CCC/C=C/C/C=C\CC(=O)/C=C\C=C/CCCCC)(=O)O
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