Structure database (LMSD)

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LM IDLMFA01090046
Common Name2-chloro-palmitic acid
Systematic Name2-chlorohexadecanoic acid
Synonyms2-ClHOH
Exact Mass
290.2013 (neutral)    Calculate m/z:
FormulaC16H31ClO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
PubChem CID11087559
CAYMAN ID26107
InChIKeyLDQUHRSWFMWRNG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)
SMILESC(Cl)(CCCCCCCCCCCCCC)C(=O)O
StatusActive
ReferencesChlorinated 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
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
315.51Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.06Molar
Refractivity
83.48