Structure Database (LMSD)

Common Name
18-fluoro-9E-octadecenoic acid
Systematic Name
18-fluoro-9E-octadecenoic acid
Synonyms
  • 9-Octadecenoic acid, 18-fluoro-, (E)-
LM ID
LMFA01090036
Formula
C18H33O2F
Exact Mass
Calculate m/z
300.246458
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
synthetic construct (#32630)
Imported from LIPIDAT database. Likely synthetic

String Representations

InChiKey (Click to copy)
XZCKFYWUUUBKNC-OWOJBTEDSA-N
InChi (Click to copy)
InChI=1S/C18H33FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2H,3-17H2,(H,20,21)/b2-1+
SMILES (Click to copy)
C(CCCCCCC/C=C/CCCCCCCCF)(=O)O

Other Databases

LIPIDAT ID
3687
PubChem CID
5312956

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 338.33
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.34
Molar Refractivity 87.88

Admin

Created at
-
Updated at
14th Dec 2023