Structure Database (LMSD)

Common Name
16-fluoro-hexadecanoic acid
Systematic Name
16-fluoro-hexadecanoic acid
Synonyms
  • Hexadecanoic acid, 16-fluoro-
  • 16-Fluoropalmitic acid
LM ID
LMFA01090034
Formula
C16H31FO2
Exact Mass
Calculate m/z
274.230808
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]

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)
PNNLLDRVJFDXNL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCF)(=O)O

Other Databases

LIPIDAT ID
3683
KEGG ID
C13948
CHEBI ID
34164
PubChem CID
151081
PlantFA ID
10183

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 306.37
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.79
Molar Refractivity 78.74

Admin

Created at
-
Updated at
-