Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030818
Common Nameω-3-Arachidonic acid
Systematic Name8Z,11Z,14Z,17Z-eicosatetraenoic acid
SynonymsC20:4n-3,6,9,12; Bishomostearidonic acid
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID11722594
HMDB IDHMDB0002177
PlantFA ID10503
SWISSLIPIDS IDSLM:000001206
CAYMAN ID90011
InChIKeyHQPCSDADVLFHHO-LTKCOYKYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4
,6-7,9-10,12-13H,2,5,8,11,14-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-
SMILESC(CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O
StatusActive
ReferencesMedicinal and aromatic plants, Volume 8 Y. P. S. Bajaj 1995 (Springer)
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
358.94Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.22Molar
Refractivity
96.04