Structure Database (LMSD)

Common Name
5,6,8,9-tetrachloro-tetradecanoic acid
Systematic Name
5,6,8,9-tetrachloro-tetradecanoic acid
Synonyms
  • 14:0(5Cl,6Cl,8Cl,9Cl)
LM ID
LMFA01090064
Formula
C14H24Cl4O2
Exact Mass
Calculate m/z
364.053042
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
Anguilla anguilla (#7936)
Actinopteri (#186623)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

String Representations

InChiKey (Click to copy)
QHTKGYPZKJWJFA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H24Cl4O2/c1-2-3-4-6-10(15)12(17)9-13(18)11(16)7-5-8-14(19)20/h10-13H,2-9H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCC(Cl)C(Cl)CC(Cl)C(Cl)CCCCC)(=O)O

Other Databases

PubChem CID
56935811

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 326.54
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.79
Molar Refractivity 90.86

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Updated at
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