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
C16H31ClO2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]

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
11087559
Cayman ID
26107

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

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Updated at
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