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Record Information
Version1.0
Creation Date2016-07-13 19:43:47 UTC
Update Date2016-09-23 18:44:49 UTC
LmdbLMDB00165
Secondary Accession NumbersNone
Metabolite Identification
Common NameChloride ion
DescriptionUnder standard conditions, chlorine exists as a diatomic molecule. Chlorine is a highly toxic, pale yellow-green gas that has a specific strong smell. In nature, chlorine is most abundant as a chloride ion. Physiologically, it exists as an ion in the body. The chloride ion is an essential anion that the body needs for many critical functions. It also helps keep the body's acid-base balance. The amount of chloride in the blood is carefully controlled by the kidneys. Chloride ions have important physiological roles. For instance, in the central nervous system, the inhibitory action of glycine and some of the action of GABA relies on the entry of Cl- into specific neurons. Also, the chloride-bicarbonate exchanger biological transport protein relies on the chloride ion to increase the blood's capacity of carbon dioxide, in the form of the bicarbonate ion. Chloride-transporting proteins (CLC) play fundamental roles in many tissues in the plasma membrane as well as in intracellular membranes. CLC proteins form a gene family that comprises nine members in mammals, at least four of which are involved in animal genetic diseases. GABA(A) receptors are pentameric complexes that function as ligand-gated chloride ion channels. WNK kinases are a family of serine-threonine kinases that have been shown to play an essential role in the regulation of electrolyte homeostasis, and they are found in diverse epithelia throughout the body that are involved in chloride ion flux. Cystic fibrosis (CF) is caused by alterations in the CF transmembrane conductance regulator (CFTCR) gene that result in deranged sodium and chloride ion transport channels. (PMID: 17539703 , 17729441 , 17562499 , 15300163 ) (For a complete review see Evans, Richard B. Chlorine: state of the art. Lung (2005), 183(3), 151-167. PMID: 16078037 ).
Structure
Thumb
Synonyms
ValueSource
Chloride(1-)ChEBI
Chlorine anionChEBI
CL(-)ChEBI
ChlorideKegg
BertholiteHMDB
ChloorHMDB
ChlorHMDB
ChloreHMDB
ChlorineHMDB
Chlorine gasHMDB
ClHMDB
Cl2HMDB
Diatomic chlorineHMDB
DichlorineHMDB
Molecular chlorineHMDB
Chloride ion levelHMDB
Ion level, chlorideHMDB
ChloridesHMDB
Level, chloride ionHMDB
MSR-1 Protein, nicotiana plumbaginifoliaHMDB
PLS216 Protein, nicotiana plumbaginifoliaHMDB
Chemical FormulaCl
Average Molecular Weight35.453
Monoisotopic Molecular Weight34.968852707
IUPAC Namechloride
Traditional Namechloride
CAS Registry Number16887-00-6
SMILES
[Cl-]
InChI Identifier
InChI=1S/ClH/h1H/p-1
InChI KeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous halogens
Sub ClassNot Available
Direct ParentHomogeneous halogens
Alternative ParentsNot Available
Substituents
  • Homogeneous halogen
Molecular FrameworkNot Available
External Descriptors
Ontology
StatusDetected and Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.61ChemAxon
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.62 m³·mol⁻¹ChemAxon
Polarizability2.39 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
LC-MS/MSLC-MS/MS Spectrum - 40V, Positivesplash10-00di-0009000000-6fb9c471131023c432dfSpectrum
LC-MS/MSLC-MS/MS Spectrum - 30V, Positivesplash10-00di-0009000000-81a678b03172c0d73abfSpectrum
LC-MS/MSLC-MS/MS Spectrum - 10V, Positivesplash10-00di-0009000000-5df8560ed945712b8481Spectrum
LC-MS/MSLC-MS/MS Spectrum - 20V, Positivesplash10-00di-0009000000-80bd16051562ea5ee2b7Spectrum
LC-MS/MSLC-MS/MS Spectrum - 50V, Positivesplash10-0a4i-0009000000-cf0884f0a8324da15f74Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-c2fa753da65a4bac80a1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-c2fa753da65a4bac80a1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-c2fa753da65a4bac80a1Spectrum
Biological Properties
Cellular LocationsNot Available
Biofluid Locations and Tissue Locations
  • Follicular Fluid
  • Milk
  • Serum
Concentrations
BiofluidStatusValueConditionSpeciesReferenceDetails
Follicular FluidDetected and Quantified110004.795 uMNot AvailableBovine
    • C. Lutwak-Mann. N...
details
MilkDetected and Quantified1000 mg/kgNot AvailableBovine
    • Park, Y. W; Juáre...
details
MilkDetected and Quantified1600 mg/kgNot AvailableOvine
    • Park, Y. W; Juáre...
details
MilkDetected and Quantified1500 mg/kgNot AvailableCaprine
    • Park, Y. W; Juáre...
details
SerumDetected and Quantified97000 uMNot AvailableBovine details
SerumDetected and Quantified98400 uMNot AvailableBovine details
DrugBank IDNot Available
HMDB IDHMDB0000492
FooDB IDFDB006557
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG ID50130
BioCyc IDCL-
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkChloride
Chemspider ID4514529
ChEBI ID17996
PubChem Compound ID312
Kegg Compound IDC00698
YMDB IDYMDB01517
ECMDB IDECMDB04037
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Harrison NL: Mechanisms of sleep induction by GABA(A) receptor agonists. J Clin Psychiatry. 2007;68 Suppl 5:6-12. [17539703 ]
  2. Zifarelli G, Pusch M: CLC chloride channels and transporters: a biophysical and physiological perspective. Rev Physiol Biochem Pharmacol. 2007;158:23-76. [17729441 ]
  3. Tarran R, Donaldson S, Boucher RC: Rationale for hypertonic saline therapy for cystic fibrosis lung disease. Semin Respir Crit Care Med. 2007 Jun;28(3):295-302. [17562499 ]
  4. Kahle KT, Wilson FH, Lalioti M, Toka H, Qin H, Lifton RP: WNK kinases: molecular regulators of integrated epithelial ion transport. Curr Opin Nephrol Hypertens. 2004 Sep;13(5):557-62. [15300163 ]
  5. Evans RB: Chlorine: state of the art. Lung. 2005 May-Jun;183(3):151-67. [16078037 ]