Structure Database (LMSD)

Common Name
20-fluoro-9Z-eicosenoic acid
Systematic Name
20-fluoro-9Z-eicosenoic acid
Synonyms
  • 20:1(9Z)(20F)
LM ID
LMFA01090052
Formula
C20H37FO2
Exact Mass
Calculate m/z
328.277758
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]

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)
VPTLBQZTVHYNKN-RQOWECAXSA-N
InChi (Click to copy)
InChI=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-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCCCCCCCCF)(=O)O

Other Databases

CHEBI ID
187690
PubChem CID
56935807

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 372.93
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.12
Molar Refractivity 97.11

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Updated at
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