Structure Database (LMSD)

Common Name
5,6-dichloro-tetradecanoic acid
Systematic Name
5,6-dichloro-tetradecanoic acid
Synonyms
  • 14:0(5Cl,6Cl)
LM ID
LMFA01090061
Formula
C14H26Cl2O2
Exact Mass
Calculate m/z
296.130986
Status
Curated
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
Mytilus edulis (#6550)
Bivalvia (#6544)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

String Representations

InChiKey (Click to copy)
MBWXQZXGUAFIDF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26Cl2O2/c1-2-3-4-5-6-7-9-12(15)13(16)10-8-11-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
SMILES (Click to copy)
C(CCCC(Cl)C(Cl)CCCCCCCC)(=O)O

Other Databases

CHEBI ID
187007
PubChem CID
54064333

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 296.12
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.78
Molar Refractivity 79.79

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