AFCDB: Sodium (FDB003523)

Record Information

Version

1.0

Creation date

2010-04-08 22:05:50 UTC

Update date

2019-11-26 02:59:21 UTC

Primary ID

FDB003523

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Sodium

Description

Sodium, 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 Number

7440-23-5

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.77	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

IUPAC name

sodium

InChI Identifier

InChI=1S/Na

InChI Key

KEAYESYHFKHZAL-UHFFFAOYSA-N

Isomeric SMILES

[Na]

Average Molecular Weight

22.9898

Monoisotopic Molecular Weight

22.989769675

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.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous alkali metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous alkali metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous alkali metal

Molecular Framework

Not Available

External Descriptors

alkali metal atom (CHEBI:26708 )

Ontology

No ontology term

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Solid
Physical Description	Not Available
Mass Composition	Not Available
Melting Point	97.82 oC
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	+1
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-9000000000-dd1ea05a3d27771b8fd0	2016-08-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-9000000000-dd1ea05a3d27771b8fd0	2016-08-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-9000000000-dd1ea05a3d27771b8fd0	2016-08-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-9000000000-214ebe9a810b52785897	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00di-9000000000-214ebe9a810b52785897	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00di-9000000000-214ebe9a810b52785897	2016-08-03	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

899

ChEMBL ID

Not Available

KEGG Compound ID

C01330

Pubchem Compound ID

923

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB00588

CRC / DFC (Dictionary of Food Compounds) ID

Not Available

EAFUS ID

Not Available

Dr. Duke ID

SODIUM

BIGG ID

37376

KNApSAcK ID

Not Available

HET ID

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Sodium

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Descriptor	ID	Definition	Reference
hypertensive			DUKE

Enzymes

Name	Gene Name	UniProt ID
Sodium/potassium-transporting ATPase subunit beta-3	ATP1B3	P54709
Sodium/potassium-transporting ATPase subunit beta-2	ATP1B2	P14415

Pathways

Name	SMPDB Link	KEGG Link
Lactose Degradation	SMP00457	Not Available
Trehalose Degradation	SMP00467	Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

show

References

Synthesis Reference

Not Available

General Reference

Not 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).

Sodium (FDB003523)

Structure for FDB003523 (Sodium)