Structure Database (LMSD)

Common Name
20-Fluoroeicosanoic acid
Systematic Name
20-Fluoroeicosanoic acid
Synonyms
  • Eicosanoic acid, 20-fluoro-
LM ID
LMFA01090157
Formula
C20H39O2F
Exact Mass
Calculate m/z
330.293408
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dichapetalum (#4314)
Magnoliopsida (#3398)
Fluoro fatty acids in seed oil of Dichapetalum toxicarium,
Phytochemistry, 1997

String Representations

InChiKey (Click to copy)
SVYIZBOEYBHVGJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H39FO2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1-19H2,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCF)(=O)O

Other Databases

CHEBI ID
187662
PubChem CID
85723390
PlantFA ID
10529

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 375.57
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.35
Molar Refractivity 97.21

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Updated at
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