Livestock Metabolome Database: Showing metabocard for Chloride ion (LMDB00165)

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-07-13 19:43:47 UTC

Update Date

2016-09-23 18:44:49 UTC

Lmdb

LMDB00165

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Chloride ion

Description

Under 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

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Chloride(1-)	ChEBI
Chlorine anion	ChEBI
CL(-)	ChEBI
Chloride	Kegg
Bertholite	HMDB
Chloor	HMDB
Chlor	HMDB
Chlore	HMDB
Chlorine	HMDB
Chlorine gas	HMDB
Cl	HMDB
Cl2	HMDB
Diatomic chlorine	HMDB
Dichlorine	HMDB
Molecular chlorine	HMDB
Chloride ion level	HMDB
Ion level, chloride	HMDB
Chlorides	HMDB
Level, chloride ion	HMDB
MSR-1 Protein, nicotiana plumbaginifolia	HMDB
PLS216 Protein, nicotiana plumbaginifolia	HMDB

Chemical Formula

Average Molecular Weight

35.453

Monoisotopic Molecular Weight

34.968852707

IUPAC Name

chloride

Traditional Name

chloride

CAS Registry Number

16887-00-6

SMILES

[Cl-]

InChI Identifier

InChI=1S/ClH/h1H/p-1

InChI Key

VEXZGXHMUGYJMC-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.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Homogeneous halogens

Sub Class

Not Available

Direct Parent

Homogeneous halogens

Alternative Parents

Not Available

Substituents

Homogeneous halogen

Molecular Framework

Not Available

External Descriptors

halide anion (CHEBI:17996 )
monoatomic chlorine (CHEBI:17996 )
an anion (CL- )

Ontology

Status

Detected and Quantified

Origin

Not Available

Biofunction

Not Available

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0.61	ChemAxon
pKa (Strongest Acidic)	-7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	5.62 m³·mol⁻¹	ChemAxon
Polarizability	2.39 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-00di-0009000000-6fb9c471131023c432df	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-00di-0009000000-81a678b03172c0d73abf	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-00di-0009000000-5df8560ed945712b8481	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-00di-0009000000-80bd16051562ea5ee2b7	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 50V, Positive	splash10-0a4i-0009000000-cf0884f0a8324da15f74	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-9000000000-c4fb3d037fe2e74c2a5e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-9000000000-c4fb3d037fe2e74c2a5e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-9000000000-c4fb3d037fe2e74c2a5e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-d488e6da5c7ecb77869a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-d488e6da5c7ecb77869a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-d488e6da5c7ecb77869a	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-c2fa753da65a4bac80a1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-c2fa753da65a4bac80a1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-c2fa753da65a4bac80a1	Spectrum

Biological Properties

Cellular Locations

Not Available

Biofluid Locations and Tissue Locations

Follicular Fluid
Milk
Serum

Concentrations

Biofluid	Status	Value	Condition	Species	Reference	Details
Follicular Fluid	Detected and Quantified	110004.795 uM	Not Available	Bovine	C. Lutwak-Mann. N...	details
Milk	Detected and Quantified	1000 mg/kg	Not Available	Bovine	Park, Y. W; Juáre...	details
Milk	Detected and Quantified	1600 mg/kg	Not Available	Ovine	Park, Y. W; Juáre...	details
Milk	Detected and Quantified	1500 mg/kg	Not Available	Caprine	Park, Y. W; Juáre...	details
Serum	Detected and Quantified	97000 uM	Not Available	Bovine	2286555	details
Serum	Detected and Quantified	98400 uM	Not Available	Bovine	2286555	details

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0000492

FooDB ID

FDB006557

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

50130

BioCyc ID

CL-

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

YMDB ID

ECMDB ID

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Harrison NL: Mechanisms of sleep induction by GABA(A) receptor agonists. J Clin Psychiatry. 2007;68 Suppl 5:6-12. [17539703 ]
Zifarelli G, Pusch M: CLC chloride channels and transporters: a biophysical and physiological perspective. Rev Physiol Biochem Pharmacol. 2007;158:23-76. [17729441 ]
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 ]
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 ]
Evans RB: Chlorine: state of the art. Lung. 2005 May-Jun;183(3):151-67. [16078037 ]

Showing metabocard for Chloride ion (LMDB00165)

Structure for LMDB00165 (Chloride ion)