Milk Composition Database: Showing metabocard for Mercury (BMDB0003625)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:05:35 UTC

Update Date

2020-06-04 19:00:00 UTC

MCDB ID

BMDB0003625

Secondary Accession Numbers

BMDB03625

Metabolite Identification

Common Name

Mercury

Description

Mercury, 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 exists as a solid, possibly soluble (in water), and possibly neutral molecule. Mercury is a potentially toxic compound.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
HG2+	ChEBI
HG(2+)	ChEBI
Mercuric ion	ChEBI
MERCURY (II) ion	ChEBI
Mercury(2+) ion	ChEBI
Mercury(II)	ChEBI
Mercury(II) cation	ChEBI
Hg	HMDB
Hydrargyrum	HMDB
Quicksilver	HMDB

Chemical Formula

Average Molecular Weight

200.59

Monoisotopic Molecular Weight

201.970625604

IUPAC Name

mercury(2+) ion

Traditional Name

mercury(2+) ion

CAS Registry Number

7439-97-6

SMILES

[Hg++]

InChI Identifier

InChI=1S/Hg/q+2

InChI Key

BQPIGGFYSBELGY-UHFFFAOYSA-N

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.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous transition metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous transition metal compounds

Alternative Parents

Inorganic mercury compounds

Substituents

Homogeneous transition metal
Inorganic mercury compound

Molecular Framework

Not Available

External Descriptors

monoatomic dication (CHEBI:16793 )
divalent metal cation (CHEBI:16793 )
mercury cation (CHEBI:16793 )
a cation (HG+2 )

Physical Properties

State

Liquid

Experimental Properties

Property	Value	Reference
Melting Point	-38.8 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	6.0e-05 mg/mL at 25 °C	Not Available
LogP	0.62	DAYLIGHT (1999)

Predicted Properties

Property	Value	Source
logP	0.62	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0090000000-33aeb28729a68ca87d81	2016-08-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0090000000-33aeb28729a68ca87d81	2016-08-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-0090000000-33aeb28729a68ca87d81	2016-08-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0090000000-7286de41946b3f81e02d	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0090000000-7286de41946b3f81e02d	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0udi-0090000000-7286de41946b3f81e02d	2016-08-03	View Spectrum

Concentrations

Status	Value	Reference	Details
Detected and Quantified	0.002 +/- 0.0001 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.00041 +/- 0.00002 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.002 +/- 0.0001 uM	Patricia Cava-Mon...	details

External Links

HMDB ID

HMDB0003625

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB030905

KNApSAcK ID

Not Available

Chemspider ID

24800

KEGG Compound ID

C00703

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Mercury

METLIN ID

Not Available

PubChem Compound

26623

PDB ID

Not Available

ChEBI ID

16793

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia (2005). Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia. 2005. Room temperature acid sonication ICP-MS multielemental analysis of milk.Analytica Chimica Acta Volume 531, Issue 1, Pages 111-123. Analytica Chimica Acta.

Showing metabocard for Mercury (BMDB0003625)

Structure for BMDB0003625 (Mercury)