Structure Database (LMSD)

Common Name
18-fluoro-9Z,12Z-octadecadienoic acid
Systematic Name
18-fluoro-9Z,12Z-octadecadienoic acid
Synonyms
  • 18:2(9Z,12Z)(18F)
LM ID
LMFA01090051
Formula
C18H31FO2
Exact Mass
Calculate m/z
298.230808
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]
Unsaturated fatty acids [FA0103]
Octadecanoids [FA02]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dichapetalum (#4314)
Magnoliopsida (#3398)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

String Representations

InChiKey (Click to copy)
XVXSJURWEJNUMY-PQZOIKATSA-N
InChi (Click to copy)
InChI=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-
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\CCCCCF)(=O)O

Other Databases

CHEBI ID
137802
PubChem CID
56935806
PlantFA ID
10540

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 335.69
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.12
Molar Refractivity 87.78

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Updated at
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