Structure database (LMSD)

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LM IDLMFA01030088
Common Namecis-cetoleic acid
Systematic Name11Z-docosenoic acid
Synonymscis-11-docosenoic acid; C22:1n-11
Exact Mass
338.3185 (neutral)    Calculate m/z:
FormulaC22H42O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0127
PubChem CID5282771
HMDB IDHMDB0002884
CHEBI ID32428
PlantFA ID10149
InChIKeyKJDZDTDNIULJBE-QXMHVHEDSA-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/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-
SMILESC(/C=C\CCCCCCCCCC(=O)O)CCCCCCCCC
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