Structure Database (LMSD)

Common Name
2-fluoro-palmitic acid
Systematic Name
2-fluoro-hexadecanoic acid
Synonyms
  • Hexadecanoic acid, 2-fluoro-
  • 2-Fluoropalmitic acid
LM ID
LMFA01090041
Formula
C16H31O2F
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
synthetic construct (#32630)
D,L-alpha-Fluoropalmitic acid inhibits sphingosine base formation and accumulates in membrane lipids of cultured mammalian cells.,
Biochim Biophys Acta, 1984
Pubmed ID: 6696931

String Representations

InChiKey (Click to copy)
JGRIJJOLCNCSNX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
SMILES (Click to copy)
C(C(F)CCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
9162
CHEBI ID
94978
PubChem CID
1560
Cayman ID
90380

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
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

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Created at
-
Updated at
31st May 2022