Structure database (LMSD)

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LM IDLMFA01030404
Common Name5Z-docosenoic acid
Systematic Name5Z-docosenoic acid
SynonymsC22:1n-17
Exact Mass
338.3185 (neutral)    Calculate m/z:
FormulaC22H42O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID3241
PubChem CID5312553
PlantFA ID10456
InChIKeyRFCSPHPIGYWVCG-ZCXUNETKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H42O2/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/h17-18H,2-16,19-21H2,1H3,(H,23,24)/b18-17-
SMILESC(CCC/C=C\CCCCCCCCCCCCCCCC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
401.46Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.67Molar
Refractivity
105.56