Structure database (LMSD)

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LM IDLMFA01090052
Common Name20-fluoro-9Z-eicosenoic acid
Systematic Name20-fluoro-9Z-eicosenoic acid
Synonyms20:1(9Z)(20F)
Exact Mass
328.2778 (neutral)    Calculate m/z:
FormulaC20H37FO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID56935807
InChIKeyVPTLBQZTVHYNKN-RQOWECAXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H37FO2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/
h2,4H,1,3,5-19H2,(H,22,23)/b4-2-
SMILESC(CCCCCCC/C=C\CCCCCCCCCCF)(=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 Atoms23Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
372.93Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.12Molar
Refractivity
97.11