Structure database (LMSD)

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LM IDLMFA01090051
Common Name18-fluoro-9Z,12Z-octadecadienoic acid
Systematic Name18-fluoro-9Z,12Z-octadecadienoic acid
Synonyms18:2(9Z,12Z)(18F)
Exact Mass
298.2308 (neutral)    Calculate m/z:
FormulaC18H31FO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
Alternative ClassesUnsaturated fatty acids[FA0103], Octadecanoids[FA02]
PubChem CID56935806
PlantFA ID10540
InChIKeyXVXSJURWEJNUMY-PQZOIKATSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H31FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,5
,7H,3-4,6,8-17H2,(H,20,21)/b2-1-,7-5-
SMILESC(CCCCCCC/C=C\C/C=C\CCCCCF)(=O)O
StatusActive
ReferencesNatural halogenated fatty acids: their analogues and derivatives
Valery M Dembitsky and Morris Srebnik
Progress in Lipid Research,41(4), 315-367 (2002)
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
335.69Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.12Molar
Refractivity
87.78