Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030001
Common NameArachidonic acid (W)
Systematic Name5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms5Z,8Z,11Z,14Z-icosatetraenoic acid; AA; Arachidonate; cis-5,8,11,14-
Eicosatetraenoic acid; (all-Z)-5,8,11,14-Eicosatetraenoic acid; all-cis-5,8,11,
14-Eicosatetraenoic acid
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 20:4
LIPIDBANK IDDFA0213
PubChem CID444899
KEGG IDC00219
HMDB IDHMDB0001043
CHEBI ID15843
PlantFA ID10144
SWISSLIPIDS IDSLM:000000296
CAYMAN ID10007268
InChIKeyYZXBAPSDXZZRGB-DOFZRALJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
Click to highlight InChI
SMILES
C(O)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
MS StandardView lipid standard
StatusActive
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