Structure Database (LMSD)
Common Name
2-chloro-palmitic acid
Systematic Name
2-chlorohexadecanoic acid
Synonyms
- 2-ClHOH
LM ID
LMFA01090046
Formula
C16H31ClO2
Exact Mass
Calculate m/z
290.201258
Status
Active
3D model of 2-chloro-palmitic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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
J Lipid Res, 2010
Pubmed ID:
20019386
DOI:
10.1194/jlr.M003673
Other Databases
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
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Updated at
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