Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030130
Common Name11,14-eicosadienoic acid
Systematic Name11,14-eicosadienoic acid
Synonyms11, 14-icosadienoic acid; C20:2n-6,9
Exact Mass
308.2715 (neutral)    Calculate m/z:
FormulaC20H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0169
PubChem CID5282805
InChIKeyXSXIVVZCUAHUJO-AVQMFFATSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7
,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6+,10-9+
SMILESC(/C=C/C/C=C/CCCCC)CCCCCCCCC(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
364.22Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.66Molar
Refractivity
96.23