Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01031035
Common NameDihomotaxoleic acid
Systematic Name7Z,11Z-eicosadienoic acid
Synonyms7c11c-20:2; (7Z,11Z)-eicosa-7,11-dienoic acid
Exact Mass
308.2715 (neutral)    Calculate m/z:
FormulaC20H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID87944576
PlantFA ID10523
InChIKeyMUFQONOUPUARDB-KWUOUXIESA-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
0,13-14H,2-8,11-12,15-19H2,1H3,(H,21,22)/b10-9-,14-13-
SMILESC(CCCCC/C=C\CC/C=C\CCCCCCCC)(=O)O
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