Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03000020
Common Name7Z,10Z,13Z,16Z-eicosatraenoic acid
Systematic Name7Z,10Z,13Z,16Z-eicosatraenoic acid
Synonyms(7Z,10Z,13Z)-eicosa-7,10,13,16-tetraenoic acid; 20:4n-4
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassOther Eicosanoids [FA0300]
PubChem CID-
InChIKeyQCPSKUPOPPPLSP-GJDCDIHCSA-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/h4-5
,7-8,10-11,13-14H,2-3,6,9,12,15-19H2,1H3,(H,21,22)/b5-4-,8-7-,11-10-,14-13-
SMILESC(CC/C=C\C/C=C\C/C=C\C/C=C\CCC)CCC(O)=O
StatusActive
ReferencesPolyunsaturated fatty acids production and transformation by Mortierella alpina and anaerobic bacteria. Jun Ogawa, Eiji Sakuradani, Shigenobu Kishino, Akinori Ando, Kenzo Yokozeki and Sakayu Shimizu. European Journal of Lipid Science and Technology. Special Issue: Euro Fed Lipid Highlights. Volume 114, Issue 10. , October 2012, pp. 1107-1113.

https://onlinelibrary.wiley.com/doi/full/10.1002/ejlt.201200069
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