Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030299
Common Name11Z,14Z-octadecadienoic acid
Systematic Name11Z,14Z-octadecadienoic acid
SynonymsC18:2n-4,7
Exact Mass
280.2402 (neutral)    Calculate m/z:
FormulaC18H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID5580
PubChem CID5312450
PlantFA ID10095
InChIKeyACYNXSLKOYLYFV-UTOQUPLUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,7-8H,
2-3,6,9-17H2,1H3,(H,19,20)/b5-4-,8-7-
SMILESC(CCCCCCCCC/C=C\C/C=C\CCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
329.62Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.88Molar
Refractivity
86.99