Structure database (LMSD)

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LM IDLMFA04000065
Common Name22:2(3Z,16Z)
Systematic Name3Z,16Z-docosadienoic acid
SynonymsC22:2n-6,19
Exact Mass
336.3028 (neutral)    Calculate m/z:
FormulaC22H40O2
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID52922004
InChIKeyQEALGBVVNMNXEC-JFECHNKFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)2
4/h6-7,19-20H,2-5,8-18,21H2,1H3,(H,23,24)/b7-6-,20-19-
SMILESC(C/C=C\CCCCCCCCCCC/C=C\CCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
398.82Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.44Molar
Refractivity
105.46