Structure database (LMSD)

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LM IDLMFA01030402
Common Name15Z-docosenoic acid
Systematic Name15Z-docosenoic acid
SynonymsC22:1n-7
Exact Mass
338.3185 (neutral)    Calculate m/z:
FormulaC22H42O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID3246
PubChem CID5312551
PlantFA ID10385
InChIKeyKPGGPQIHJCHVLZ-FPLPWBNLSA-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/h7-8H,2-6,9-21H2,1H3,(H,23,24)/b8-7-
SMILESC(CCCCCCCCCCCCC/C=C\CCCCCC)(=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