Showing metabocard for Sodium (MMDBc0000119)

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Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-10-27 23:36:34 UTC
Update Date2024-09-29 15:16:25 UTC
Metabolite IDMMDBc0000119
Metabolite Identification
Common NameSodium
DescriptionSodium ions are necessary for regulation of blood and body fluids, transmission of nerve impulses, heart activity, and certain metabolic functions. Physiologically, it exists as an ion in the body. Sodium is needed by animals, which maintain high concentrations in their blood and extracellular fluids, but the ion is not needed by plants. The human requirement for sodium in the diet is less than 500 mg per day, which is typically less than a tenth as much as many diets "seasoned to taste." Most people consume far more sodium than is physiologically needed. For certain people with salt-sensitive blood pressure, this extra intake may cause a negative effect on health.
Structure
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for #<Metabolite:0x00007fdafdc4d5a8>


  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 #<Metabolite:0x00007fdafdc4d5a8>

HMDB0000588
     RDKit          3D
Sodium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   1
M  END
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3D SDF for #<Metabolite:0x00007fdafdc4d5a8>


  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>
MMDBc0000119

> <DATABASE_NAME>
MIME

> <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 #<Metabolite:0x00007fdafdc4d5a8>

HMDB0000588
     RDKit          3D
Sodium
  1  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
M  CHG  1   1   1
M  END
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PDB for #<Metabolite:0x00007fdafdc4d5a8>

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 #<Metabolite:0x00007fdafdc4d5a8>

COMPND    HMDB0000588
HETATM    1 NA1  UNL     1       0.000   0.000   0.000  1.00  0.00          NA1+
END
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SMILES for #<Metabolite:0x00007fdafdc4d5a8>

[Na+]
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INCHI for #<Metabolite:0x00007fdafdc4d5a8>

InChI=1S/Na/q+1
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Synonyms
ValueSource
Na(+)ChEBI
Na+ChEBI
SODIUM ionChEBI
Sodium(1+)Kegg
Molecular FormulaNa
Average Mass22.9898
Monoisotopic Mass22.989769675
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