Structure database (LMSD)

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LM IDLMFA01030355
Common NameConiferonic acid
Systematic Name5Z,9Z,12Z,15Z-octadecatetraenoic acid
SynonymsC18:4n-3,6,9,13; 18:4(5Z,9Z,12Z,15Z)
Exact Mass
276.2089 (neutral)    Calculate m/z:
FormulaC18H28O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID13751481
PlantFA ID10121
InChIKeyDNOBNGNBPVOMLW-XRPCLMINSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9
-10,13-14H,2,5,8,11-12,15-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,14-13-
SMILESC(CCC/C=C\CC/C=C\C/C=C\C/C=C\CC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
324.34Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.44Molar
Refractivity
86.81