Showing metabocard for Hg (MMDBc0054508)

Xenobiotic
Record Information
Version2.0
StatusDetected and Quantified
Creation Date2022-06-05 23:16:03 UTC
Update Date2025-10-07 16:08:33 UTC
Metabolite IDMMDBc0054508
Metabolite Identification
Common NameHg
DescriptionHg is a heavy metal belonging to the class of transition metals. In terms of its chemical structure, mercury (Hg) is characterized by its atomic number 80 and can exist in several oxidation states, primarily as elemental mercury (Hg^0), mercurous (Hg^1+), and mercuric (Hg^2+). In biological systems, mercury is involved in various pathways, including its potential to influence cellular signaling and gene expression. For instance, studies have shown that high glucose (HG) conditions can lead to increased levels of 5-methylcytosine (m5C) in the kidneys of diabetic mice, which is associated with reduced expression of the m5C demethylase ten-eleven translocation 2 (TET2), suggesting a complex interaction between Hg and metabolic pathways (PMID:41045450 ). Additionally, mercury exposure has been linked to elevated concentrations in environmental samples, exceeding permissible limits set by WHO/FAO, indicating its pervasive presence and potential health risks (PMID:41046066 ). The implications of mercury in various biological contexts underscore the need for ongoing research into its effects on health and the environment.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007f9ab6622340>


  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:0x00007f9ab6622340>

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3D SDF for #<Metabolite:0x00007f9ab6622340>

  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:0x00007f9ab6622340>
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PDB for #<Metabolite:0x00007f9ab6622340>
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:0x00007f9ab6622340>
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SMILES for #<Metabolite:0x00007f9ab6622340>
[Hg]
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INCHI for #<Metabolite:0x00007f9ab6622340>
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