Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01031173
Common Name5Z,8Z,11Z,14Z-docosatetraenoic acid
Systematic Name5Z,8Z,11Z,14Z-docosatetraenoic acid
Synonymsδ5,8,11,14-22:4
Exact Mass
332.2715 (neutral)    Calculate m/z:
FormulaC22H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 22:4
PubChem CID10759012
InChIKeyUCPHFYXDPMIVSD-GKFVBPDJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h8-9,11-12,14-15,17-18H,2-7,10,13,16,19-21H2,1H3,(H,23,24)/b9-8-,12-11-,15-14-,18-17-
Click to highlight InChI
SMILES
C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC)(=O)O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
393.54Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.00Molar
Refractivity
105.27