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Showing NP-Card for Na+ (NP0334653)

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Record Information
Version2.0
Created at2024-09-10 19:19:32 UTC
Updated at2024-09-10 19:19:33 UTC
NP-MRD IDNP0334653
Secondary Accession NumbersNone
Natural Product Identification
Common NameNa+
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 is a weakly acidic compound (based on its pKa). Sodium exists in all living species, ranging from bacteria to humans. In humans, sodium is involved in the metabolic disorder called the triamterene action pathway. Outside of the human body, Sodium has been detected, but not quantified in, several different foods, such as cashew nuts, sugar apples, oregon yampahs, hazelnuts, and turnips. This could make sodium a potential biomarker for the consumption of these foods. Physiologically, it exists as an ion in the body. Sodium, with regard to humans, has been found to be associated with several diseases such as lipoid congenital adrenal hyperplasia, congenital secretory diarrhea, bartter syndrome, type 4b, neonatal, with sensorineural deafness, and adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency; sodium has also been linked to the inborn metabolic disorder primary hypomagnesemia. Sodium ions are necessary for regulation of blood and body fluids, transmission of nerve impulses, heart activity, and certain metabolic functions. Sodium is needed by animals, which maintain high concentrations in their blood and extracellular fluids, but the ion is not needed by plants. For certain people with salt-sensitive blood pressure, this extra intake may cause a negative effect on health. Na+ was first documented in 2005 (PMID: 16045895). Most people consume far more sodium than is physiologically needed (PMID: 17066056) (PMID: 16580612).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0334653 (Na+)


  Mrv1652305231918322D          

  1  0  0  0  0  0            999 V2000
   27.7722  -17.1097    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   1
M  END
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3D MOL for NP0334653 (Na+)

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3D SDF for NP0334653 (Na+)

  Mrv1652305231918322D          

  1  0  0  0  0  0            999 V2000
   27.7722  -17.1097    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   1
M  END
> <DATABASE_ID>
NP0334653

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Na+]

> <INCHI_IDENTIFIER>
InChI=1S/Na/q+1

> <INCHI_KEY>
FKNQFGJONOIPTF-UHFFFAOYSA-N

> <FORMULA>
Na

> <MOLECULAR_WEIGHT>
22.9898

> <EXACT_MASS>
22.989769675

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium(1+) ion

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium(1+) ion

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0334653 (Na+)
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PDB for NP0334653 (Na+)
HEADER    PROTEIN                                 23-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAY-19         0                                  
HETATM    1 Na   UNK     0      51.841 -31.938   0.000  0.00  0.00          Na+1
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0334653 (Na+)
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SMILES for NP0334653 (Na+)
[Na+]
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INCHI for NP0334653 (Na+)
InChI=1S/Na/q+1
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View in JSmol
Synonyms
ValueSource
Na(+)ChEBI
Na+ChEBI
SODIUM ionChEBI
Sodium(1+)Kegg
Chemical FormulaNa
Average Mass22.9898 Da
Monoisotopic Mass22.98977 Da
IUPAC Namesodium(1+) ion
Traditional Namesodium(1+) ion
CAS Registry NumberNot Available
SMILES
[Na+]
InChI Identifier
InChI=1S/Na/q+1
InChI KeyFKNQFGJONOIPTF-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
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
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot 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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
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  
Good Scents IDNot Available
References
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. Felder RA, Jose PA: Mechanisms of disease: the role of GRK4 in the etiology of essential hypertension and salt sensitivity. Nat Clin Pract Nephrol. 2006 Nov;2(11):637-50. doi: 10.1038/ncpneph0301. [PubMed:17066056  ] 
  3. Achard JM, Hadchouel J, Faure S, Jeunemaitre X: Inherited sodium avid states. Adv Chronic Kidney Dis. 2006 Apr;13(2):118-23. doi: 10.1053/j.ackd.2006.01.011. [PubMed:16580612  ]