Record Information
Version1.0
Creation date2010-04-08 22:07:12 UTC
Update date2018-01-23 19:00:11 UTC
Primary IDFDB006557
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameChloride
DescriptionThe chloride ion is formed when the element chlorine picks up one electron to form the Cl- anion. The chloride ion is one of the most common anions in nature and is necessary to most forms of life. It is an essential electrolyte responsible for maintaining acid/base balance and regulating fluid in and out of cells. [Wikipedia]. Chloride is found in many foods, some of which are jute, grapefruit, lentils, and lime.
CAS Number16887-00-6
Structure
Thumb
Synonyms
SynonymSource
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
Chloride ionbiospider
Chlorine, ionbiospider
Cl-manual
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCl
IUPAC namechloride
InChI IdentifierInChI=1S/ClH/h1H/p-1
InChI KeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
Isomeric SMILES[Cl-]
Average Molecular Weight35.453
Monoisotopic Molecular Weight34.968852707
Classification
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
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Environmental role:

Biological role:

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateGas
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aView in MoNA
ChemSpider ID4514529
ChEMBL IDCHEMBL19429
KEGG Compound IDC00698
Pubchem Compound ID24526
Pubchem Substance IDNot Available
ChEBI ID17996
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00492
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDCHLORIDE
BIGG ID50130
KNApSAcK IDNot Available
HET IDCL
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDChloride
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
— Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).