Showing metabocard for Hg (MMDBc0054508)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:16:03 UTC
Update Date2022-08-12 20:09:00 UTC
Metabolite IDMMDBc0054508
Metabolite Identification
Common NameHg
Description
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007fece0011b00>


  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 #<Metabolite:0x00007fece0011b00>

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3D SDF for #<Metabolite:0x00007fece0011b00>

  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>
MMDBc0054508

> <DATABASE_NAME>
MIME

> <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 #<Metabolite:0x00007fece0011b00>
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PDB for #<Metabolite:0x00007fece0011b00>
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 #<Metabolite:0x00007fece0011b00>
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SMILES for #<Metabolite:0x00007fece0011b00>
[Hg]
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INCHI for #<Metabolite:0x00007fece0011b00>
InChI=1S/Hg
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Synonyms
ValueSource
Elemental mercuryChEBI
HgChEBI
HG(0)ChEBI
HgnChEBI
Metallic mercuryChEBI
MercuryChEBI
Molecular FormulaHg
Average Mass200.59
Monoisotopic Mass201.970625604
IUPAC Namemercury
Traditional Namemercury
CAS Registry NumberNot Available
SMILES
[Hg]
InChI Identifier
InChI=1S/Hg
InChI KeyQSHDDOUJBYECFT-UHFFFAOYSA-N