Showing metabocard for Sodium (BMDB0000588)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:33:13 UTC
Update Date2020-06-04 22:53:48 UTC
MCDB ID BMDB0000588
Secondary Accession Numbers
  • BMDB00588
Metabolite Identification
Common NameSodium
DescriptionSodium, also known as Na+ or sodium ion, 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 exists as a solid, possibly soluble (in water), and possibly neutral molecule. Sodium exists in all living species, ranging from bacteria to humans.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Na(+)ChEBI
Na+ChEBI
SODIUM ionChEBI
Sodium(1+)Kegg
Chemical FormulaNa
Average Molecular Weight22.9898
Monoisotopic Molecular Weight22.989769675
IUPAC Namesodium(1+) ion
Traditional Namesodium(1+) ion
CAS Registry Number7440-23-5
SMILES
[Na+]
InChI Identifier
InChI=1S/Na/q+1
InChI KeyFKNQFGJONOIPTF-UHFFFAOYSA-N
Chemical Taxonomy
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
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point97.82 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.77ChemAxon
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-9000000000-25bf08b0ab99f8116a312015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-9000000000-25bf08b0ab99f8116a312015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-9000000000-25bf08b0ab99f8116a312015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-9000000000-fba837e9c7559de067802015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00di-9000000000-fba837e9c7559de067802015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00di-9000000000-fba837e9c7559de067802015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-9000000000-1d278094c49273af723f2021-09-24View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-9000000000-1d278094c49273af723f2021-09-24View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-9000000000-1d278094c49273af723f2021-09-24View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified17000 - 28000 uM details
Detected and Quantified18704 uM details
Detected and Quantified19574 uM details
Detected and Quantified20008 uM details
Detected and Quantified20878 uM details
Detected and Quantified21314 uM details
Detected and Quantified21749 uM details
Detected and Quantified23053 uM details
Detected and Quantified25229 uM details
Detected and Quantified24793 uM details
Detected and Quantified24793 uM details
Detected and Quantified19138 uM details
Detected and Quantified22618 uM details
Detected and Quantified1304 uM details
Detected and Quantified25229 uM details
Detected and Quantified22618 uM details
Detected and Quantified19138 uM details
Detected and Quantified25664 uM details
Detected and Quantified23053 uM details
Detected and Quantified18268 uM details
Detected and Quantified18268 uM details
Detected and Quantified18877 uM details
Detected and Quantified18877 uM details
Detected and Quantified21314 uM details
Detected and Quantified25664 uM details
Detected and Quantified22618 uM details
Detected and Quantified25664 uM details
Detected and Quantified20444 uM details
Detected and Quantified20444 uM details
Detected and Quantified19269 uM details
Detected and Quantified19225 uM details
Detected and Quantified19269 uM details
Detected and Quantified18704 uM details
Detected and Quantified18704 uM details
Detected and Quantified18530 uM details
Detected and Quantified19748 uM details
Detected and Quantified19748 uM details
Detected and Quantified25229 uM
  • Park, Y. W; Juáre...
 details
Detected and Quantified16345 +/- 1257 uM details
Detected and Quantified16560 +/- 1174.25 uM details
Detected and Quantified16197 +/- 1765 uM details
Detected and Quantified15926 +/- 1396 uM details
Detected and Quantified21314 - 22183 uM details
HMDB IDHMDB0000588
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB031052
KNApSAcK IDNot Available
Chemspider ID899
KEGG Compound IDC01330
BioCyc IDNot Available
BiGG ID37376
Wikipedia LinkSodium
METLIN ID3192
PubChem Compound923
PDB IDNot Available
ChEBI ID29101
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Gaucheron F: The minerals of milk. Reprod Nutr Dev. 2005 Jul-Aug;45(4):473-83. doi: 10.1051/rnd:2005030. [PubMed:16045895 ]
  2. Auldist MJ, Walsh BJ, Thomson NA: Seasonal and lactational influences on bovine milk composition in New Zealand. J Dairy Res. 1998 Aug;65(3):401-11. [PubMed:9718493 ]
  3. Gaucheron F: Milk and dairy products: a unique micronutrient combination. J Am Coll Nutr. 2011 Oct;30(5 Suppl 1):400S-9S. [PubMed:22081685 ]
  4. Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W. (2007). Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013. Small Ruminant Research.
  5. A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
  6. USDA Food Composition Databases [Link]
  7. Fooddata+, The Technical University of Denmark (DTU) [Link]