Record Information
Version1.0
Creation date2010-04-08 22:07:12 UTC
Update date2019-11-26 03:01:11 UTC
Primary IDFDB006557
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameChloride
DescriptionChloride ion, also known as chloride(1-) or Cl, 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. Chloride ion is an extremely strong acidic compound (based on its pKa). Chloride ion exists in all living species, ranging from bacteria to humans. Chloride ion is found, on average, in the highest concentration within a few different foods, such as dates, milk (cow), and mexican groundcherries and in a lower concentration in cocoa beans. Chloride ion has also been detected, but not quantified in, several different foods, such as sunburst squash (pattypan squash), radish, purple mangosteens, white lupines, and okra. This could make chloride ion a potential biomarker for the consumption of these foods. Chloride ion is a potentially toxic compound. Chloride ion, with regard to humans, has been found to be associated with several diseases such as bartter syndrome, type 3, bartter syndrome, type 4b, neonatal, with sensorineural deafness, and bartter syndrome, type 5, antenatal, transient; chloride ion has also been linked to several inborn metabolic disorders including hyperdibasic aminoaciduria I and primary hypomagnesemia.
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
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
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-c4fb3d037fe2e74c2a5eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-d488e6da5c7ecb77869aSpectrum
NMRNot Available
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).