Record Information
Version1.0
Creation date2010-04-08 22:05:50 UTC
Update date2019-11-26 02:59:21 UTC
Primary IDFDB003523
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium
DescriptionSodium, also known as 11NA or natrium, belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom. Sodium is possibly neutral. Sodium is found, on average, in the highest concentration within a few different foods, such as salts, adobo, and meat bouillons and in a lower concentration in oriental wheats, rice cakes, and broccoli. Sodium has also been detected, but not quantified in, several different foods, such as nectarines, canola, asian pears, oil-seed camellia, and rapes. This could make sodium a potential biomarker for the consumption of these foods.
CAS Number7440-23-5
Structure
Thumb
Synonyms
SynonymSource
11NaChEBI
NaChEBI
NatriumChEBI
SodioChEBI
Na(+)ChEBI
Na+ChEBI
SODIUM ionChEBI
Predicted Properties
PropertyValueSource
logP-0.77ChemAxon
Physiological Charge0ChemAxon
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 FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaNa
IUPAC namesodium
InChI IdentifierInChI=1S/Na
InChI KeyKEAYESYHFKHZAL-UHFFFAOYSA-N
Isomeric SMILES[Na]
Average Molecular Weight22.9898
Monoisotopic Molecular Weight22.989769675
Classification
Description Belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous alkali metal compounds
Sub ClassNot Available
Direct ParentHomogeneous alkali metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous alkali metal
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting Point97.82 oC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
Charge+1
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, Positivesplash10-004i-9000000000-dd1ea05a3d27771b8fd0Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-dd1ea05a3d27771b8fd0Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-dd1ea05a3d27771b8fd0Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-9000000000-214ebe9a810b52785897Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00di-9000000000-214ebe9a810b52785897Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00di-9000000000-214ebe9a810b52785897Spectrum
NMRNot Available
ChemSpider ID899
ChEMBL IDNot Available
KEGG Compound IDC01330
Pubchem Compound ID923
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00588
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDSODIUM
BIGG ID37376
KNApSAcK IDNot Available
HET IDNA
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDSodium
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
hypertensiveDUKE
Enzymes
NameGene NameUniProt ID
Sodium/potassium-transporting ATPase subunit beta-3ATP1B3P54709
Sodium/potassium-transporting ATPase subunit beta-2ATP1B2P14415
Pathways
NameSMPDB LinkKEGG Link
Lactose DegradationSMP00457 Not Available
Trehalose DegradationSMP00467 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).
— U.S. Department of Agriculture, Agricultural Research Service. 2008. USDA National Nutrient Database for Standard Reference, Release 21. Nutrient Data Laboratory Home Page.
— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).