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Showing NP-Card for Hg2+ (NP0334723)

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Record Information
Version2.0
Created at2024-09-10 19:41:10 UTC
Updated at2024-09-10 19:41:11 UTC
NP-MRD IDNP0334723
Secondary Accession NumbersNone
Natural Product Identification
Common NameHg2+
DescriptionMercury, also known as HG2+ or mercuric ion, belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. Mercury is possibly neutral. Outside of the human body, Mercury has been detected, but not quantified in, several different foods, such as yellow pond-lilies, poppies, cupuaçus, endives, and cucumbers. This could make mercury a potential biomarker for the consumption of these foods. Mercury is a potentially toxic compound. Hg2+ was first documented in 2007 (PMID: 17448359). Knowledge of the relation between fish-eating practices and hair mercury levels is particularly important for adequate mitigation strategies (PMID: 17408840) (PMID: 17193738).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0334723 (Hg2+)


  Mrv0541 02231219462D          

  1  0  0  0  0  0            999 V2000
   10.2600  -16.6883    0.0000 Hg  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
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3D MOL for NP0334723 (Hg2+)

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3D SDF for NP0334723 (Hg2+)

  Mrv0541 02231219462D          

  1  0  0  0  0  0            999 V2000
   10.2600  -16.6883    0.0000 Hg  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   2
M  END
> <DATABASE_ID>
NP0334723

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Hg++]

> <INCHI_IDENTIFIER>
InChI=1S/Hg/q+2

> <INCHI_KEY>
BQPIGGFYSBELGY-UHFFFAOYSA-N

> <FORMULA>
Hg

> <MOLECULAR_WEIGHT>
200.59

> <EXACT_MASS>
201.970625604

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
mercury(2+) ion

> <JCHEM_LOGP>
0.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
mercury(2+) ion

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0334723 (Hg2+)
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PDB for NP0334723 (Hg2+)
HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1 Hg   UNK     0      19.152 -31.151   0.000  0.00  0.00          Hg+2
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0334723 (Hg2+)
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SMILES for NP0334723 (Hg2+)
[Hg++]
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INCHI for NP0334723 (Hg2+)
InChI=1S/Hg/q+2
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View in JSmol
Synonyms
ValueSource
HG2+ChEBI
HG(2+)ChEBI
Mercuric ionChEBI
MERCURY (II) ionChEBI
Mercury(2+) ionChEBI
Mercury(II)ChEBI
Mercury(II) cationChEBI
HgHMDB
HydrargyrumHMDB
QuicksilverHMDB
Chemical FormulaHg
Average Mass200.5900 Da
Monoisotopic Mass201.97063 Da
IUPAC Namemercury(2+) ion
Traditional Namemercury(2+) ion
CAS Registry NumberNot Available
SMILES
[Hg++]
InChI Identifier
InChI=1S/Hg/q+2
InChI KeyBQPIGGFYSBELGY-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 transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.
KingdomInorganic compounds  
Super ClassHomogeneous metal compounds  
ClassHomogeneous transition metal compounds  
Sub ClassNot Available
Direct ParentHomogeneous transition metal compounds  
Alternative Parents
Substituents
  • Homogeneous transition metal
    • 

  • Inorganic mercury compound
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
logP0.62ChemAxon
Physiological Charge2ChemAxon
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 IDHMDB0003625  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030905  
KNApSAcK IDNot Available
Chemspider ID24800  
KEGG Compound IDC00703  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMercury  
METLIN IDNot Available
PubChem Compound26623  
PDB IDNot Available
ChEBI ID16793  
Good Scents IDNot Available
References
General References
  1. Clifton JC 2nd: Mercury exposure and public health. Pediatr Clin North Am. 2007 Apr;54(2):237-69, viii. doi:  10.1016/j.pcl.2007.02.005. [PubMed:17448359  ] 
  2. Rooney JP: The role of thiols, dithiols, nutritional factors and interacting ligands in the toxicology of mercury. Toxicology. 2007 May 20;234(3):145-56. doi: 10.1016/j.tox.2007.02.016. Epub 2007  Mar 1. [PubMed:17408840  ] 
  3. Srogi K: Mercury content of hair in different populations relative to fish consumption. Rev Environ Contam Toxicol. 2007;189:107-30. doi: 10.1007/978-0-387-35368-5_5. [PubMed:17193738  ]