Np mrd loader

Showing NP-Card for Mercury (NP0046247)

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Record Information
Version2.0
Created at2022-03-17 19:54:57 UTC
Updated at2022-03-17 19:54:57 UTC
NP-MRD IDNP0046247
Secondary Accession NumbersNone
Natural Product Identification
Common NameMercury
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0046247 (Mercury)


  Mrv1652305221920092D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0046247 (Mercury)

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3D SDF for NP0046247 (Mercury)

  Mrv1652305221920092D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0046247

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Hg]

> <INCHI_IDENTIFIER>
InChI=1S/Hg

> <INCHI_KEY>
QSHDDOUJBYECFT-UHFFFAOYSA-N

> <FORMULA>
Hg

> <MOLECULAR_WEIGHT>
200.59

> <EXACT_MASS>
201.970625604

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
mercury

> <JCHEM_LOGP>
0.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
mercury

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0046247 (Mercury)
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PDB for NP0046247 (Mercury)
HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1 Hg   UNK     0       0.000   0.000   0.000  0.00  0.00          Hg+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0046247 (Mercury)
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SMILES for NP0046247 (Mercury)
[Hg]
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INCHI for NP0046247 (Mercury)
InChI=1S/Hg
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View in JSmol
Synonyms
ValueSource
Elemental mercuryChEBI
HgChEBI
HG(0)ChEBI
HgnChEBI
Metallic mercuryChEBI
MercuryChEBI
Chemical FormulaHg
Average Mass200.5900 Da
Monoisotopic Mass201.97063 Da
IUPAC Namemercury
Traditional Namemercury
CAS Registry Number7439-97-6
SMILES
[Hg]
InChI Identifier
InChI=1S/Hg
InChI KeyQSHDDOUJBYECFT-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Allium cepaFooDB
Anacardium occidentaleFooDB
Anethum graveolensFooDB
Apium graveolensFooDB
Arachis hypogaeaFooDB
Arctium lappaFooDB
Armoracia rusticanaFooDB
Asparagus officinalisFooDB
Bertholletia excelsaFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. italicaFooDB
Capsicum annuumFooDB
Carthamus tinctoriusFooDB
Chondrus crispusFooDB
Cichorium endiviaFooDB
Cinnamomum aromaticumFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Cocos nuciferaFooDB
Corylus avellanaFooDB
Cucumis meloFooDB
Cucumis sativus L.FooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Eriobotrya japonicaFooDB
Hordeum vulgareFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Lactuca sativaFooDB
Malus pumilaFooDB
Musa x paradisiacaFooDB
Oryza sativaFooDB
Pastinaca sativaFooDB
Petroselinum crispumFooDB
Phaseolus vulgarisFooDB
Pimenta dioicaFooDB
Pistacia veraFooDB
Pisum sativumFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Pyrus communisFooDB
Raphanus sativusFooDB
Rheum rhabarbarumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
Rubus chamaemorusFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum tuberosumFooDB
Spinacia oleraceaFooDB
Triticum aestivumFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtillusFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vitis vinifera L.FooDB
Zea mays L.FooDB
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 Charge0ChemAxon
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 IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003780  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC01319  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMercury_(element)  
METLIN IDNot Available
PubChem Compound23931  
PDB IDNot Available
ChEBI ID16170  
Good Scents IDNot Available
References
General ReferencesNot Available