Livestock Metabolome Database: Showing metabocard for Barium (LMDB00450)

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-07-13 19:50:08 UTC

Update Date

2020-03-11 21:24:10 UTC

Lmdb

LMDB00450

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Barium

Description

Barium is a dense alkaline earth metal that occurs in nature as a divalent cation in combination with other elements. Physiologically, it exists as an ion in the body. In addition to its natural presence in the Earth's crust, and therefore its natural occurrence in most surface waters, barium is also released to the environment via industrial emissions. The residence time of barium in the atmosphere may be up to several days. Barium sulfate exists as a white orthorhombic powder or crystals. Barite, the mineral from which barium sulfate is produced, is a moderately soft crystalline white opaque to transparent mineral. The most important impurities are iron(III) oxide, aluminium oxide, silica, and strontium sulfate.Barium sulfate has a low toxicity and relatively high density of about 4.5 g∑cm-3 (and thus opacity to X-rays). For this reason it is used as a radiocontrast agent in X-ray imaging of the digestive system ("barium meals" and "barium enemas"). Lithopone, a pigment that contains barium sulfate and zinc sulfide, is a permanent white that has good covering power, and does not darken when exposed to sulfides. (Wikipedia). Barium hydroxide is strongly alkaline and therefore corrosive. Barium nitrate caused mild skin irritation and severe eye irritation in rabbits. The lack of reports of skin or eye irritation in animals, despite its widespread use, suggests that barium sulfate, often used as a contrast medium, is not a strong irritant. Useful information on the sensitization potential of barium compounds was not identified. Oral intake from drinking water and food is the most prevalent route of exposure to barium compounds for the general population. For the occupational environment, data from industry in the United Kingdom and predictions made using the Estimation and Assessment of Substance Exposure (EASE) model suggest that exposures can be controlled to less than 10 mg/m3 8 hours time weighted average (total inhalable dust). In some situations, control will be to levels significantly below this value. Short term exposures may be higher than 10 mg/m3 for some tasks.The critical end points in animals for toxicity resulting from exposure to barium and barium compounds appear to be hypertension and renal function. Using a no observed adverse effect level (NOAEL) in animals of 0.21 mg barium/kg body weight per day, a tolerable intake value of 0.02 mg/kg body weight per day for barium and barium compounds has been developed in this document.Dissolved barium in aquatic environments may represent a risk to aquatic organisms such as daphnids, but it is apparently of lesser risk to fish and aquatic plants, although data are limited. No adverse effects have been reported in ecological assessments of terrestrial plants or wildlife, although some plants are known to bioaccumulate barium from the soil.(Concise international chemical assessment document 33; http://www.inchem.org/documents/cicads/cicads/cicad33.htm).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ba(2+)	ChEBI
Ba2+	ChEBI
BARIUM ion	ChEBI
Barium(2+)	Kegg
Ba	HMDB
Barium	ChEBI

Chemical Formula

Average Molecular Weight

137.327

Monoisotopic Molecular Weight

137.905241273

IUPAC Name

barium(2+) ion

Traditional Name

barium(2+) ion

CAS Registry Number

7440-39-3

SMILES

[Ba++]

InChI Identifier

InChI=1S/Ba/q+2

InChI Key

XDFCIPNJCBUZJN-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as homogeneous alkaline earth metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkaline earth metal atom.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous alkaline earth metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous alkaline earth metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous alkaline earth metal

Molecular Framework

Not Available

External Descriptors

monoatomic dication (CHEBI:37136 )
barium cation (CHEBI:37136 )
divalent metal cation (CHEBI:37136 )
a cation (BA+2 )

Ontology

Status

Detected and Quantified

Origin

Not Available

Biofunction

Not Available

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.2	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	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biofluid Locations and Tissue Locations

Ruminal Fluid
Serum

Concentrations

Biofluid	Status	Value	Condition	Species	Reference	Details
Ruminal Fluid	Detected and Quantified	0.58 +/- 0.019 uM	Not Available	Bovine	Saleem F, Bouatra...	details
Serum	Detected and Quantified	0.92 +/- 0.3 uM	Not Available	Ovine	Candidate serum m...	details
Serum	Detected but not Quantified	Not Applicable	Not Available	Bovine	19275474	details