Showing metabocard for Sodium Chloride (BMDB0063721)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-02-10 19:47:42 UTC
Update Date2020-06-04 20:37:21 UTC
BMDB IDBMDB0063721
Secondary Accession Numbers
  • BMDB63721
Metabolite Identification
Common NameSodium Chloride
DescriptionSodium chloride, also known as common salt or cloruro sodico, belongs to the class of inorganic compounds known as alkali metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is an alkali metal. Based on a literature review very few articles have been published on Sodium chloride.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Chlorure de sodiumChEBI
Cloruro sodicoChEBI
Common saltChEBI
HaliteChEBI
KochsalzChEBI
NaClChEBI
Natrii chloridumChEBI
NatriumchloridChEBI
Rock saltChEBI
SaltChEBI
Table saltChEBI
AdsorbanacKegg
Sodium chloride, (22)naMeSH
Sodium chloride, (24)naclMeSH
Saline solutionMeSH
Chemical FormulaClNa
Average Molecular Weight58.443
Monoisotopic Molecular Weight57.958622382
IUPAC Namesodium chloride
Traditional Namesodium chloride
CAS Registry NumberNot Available
SMILES
[Na+].[Cl-]
InChI Identifier
InChI=1S/ClH.Na/h1H;/q;+1/p-1
InChI KeyFAPWRFPIFSIZLT-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal salts
Sub ClassAlkali metal chlorides
Direct ParentAlkali metal chlorides
Alternative Parents
Substituents
  • Alkali metal chloride
  • Inorganic chloride salt
  • Inorganic sodium salt
  • Inorganic salt
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
logP0.06ALOGPS
logP-0.77ChemAxon
logS0.26ALOGPS
pKa (Strongest Acidic)3.09ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified72891.535 - 93424.362 uMNot SpecifiedNot Specified
Normal
    • Arthur K. Anderso...
 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0303410
DrugBank IDDB09153
Phenol Explorer Compound IDNot Available
FooDB IDFDB013288
KNApSAcK IDNot Available
Chemspider ID5044
KEGG Compound IDC13563
BioCyc IDNACL
BiGG IDNot Available
Wikipedia LinkSodium_Chloride
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID26710
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available