Structure Database (LMSD)

Common Name
2-chloro-palmitic acid
Systematic Name
2-chlorohexadecanoic acid
Synonyms
  • 2-ClHOH
LM ID
LMFA01090046
Status
Active
Exact Mass
Calculate m/z
290.201258
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LDQUHRSWFMWRNG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31ClO2/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(Cl)(CCCCCCCCCCCCCC)C(=O)O

References

Reference
Chlorinated lipid species in activated human neutrophils:
lipid metabolites of 2-chlorohexadecanal
Anbukumar DS, Shornick LP, Albert CJ, Steward MM, Zoeller RA, Neumann WL, Ford DA.
J. Lipid Res. 2010 51:(5) 1085-1092

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Chlorinated lipid species in activated human neutrophils: lipid metabolites of 2-chlorohexadecanal.,
J Lipid Res, 2010
Pubmed ID: 20019386

Other Databases

PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 315.51
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.06
Molar Refractivity 83.48

Admin

Created at
-
Updated at
-