Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030898
Common Name20:2(6,11)
Systematic Name6,11-eicosadienoic acid
SynonymsC20:2n-9,14
Exact Mass
308.2715 (neutral)    Calculate m/z:
FormulaC20H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID23426098
InChIKeyJCIGYPWFRJJJJC-KLGWIHQKSA-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/h9-1
0,14-15H,2-8,11-13,16-19H2,1H3,(H,21,22)/b10-9-,15-14-
SMILESC(CCCC/C=C\CCC/C=C\CCCCCCCC)(=O)O
StatusActive
ReferencesLipid compounds of freshwater sponges:
family Spongillidae, class Demospongiae
Valery M. Dembitsky,Tomas Rezanka and Morris Srebnik
Chemistry and Physics of Lipids
Volume 123, Issue 2, April 2003,117-155
and references therein
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