Milk Composition Database: Showing metabocard for Barium (BMDB0004142)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:08:08 UTC

Update Date

2020-06-04 19:40:46 UTC

MCDB ID

BMDB0004142

Secondary Accession Numbers

BMDB04142

Metabolite Identification

Common Name

Barium

Description

Barium, also known as ba(2+) or barium ion, 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. Barium exists as a solid, possibly soluble (in water), and possibly neutral molecule. Barium is a potentially toxic compound.

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 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	710 °C	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	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Concentrations

Status	Value	Reference	Details
Detected and Quantified	1.391 - 1.631 uM	Z. Dobrzañski et ...	details
Detected and Quantified	1.3 +/- 0.1 uM	PMID: 30994344	details
Detected and Quantified	1.4 +/- 0.1 uM	PMID: 30994344	details
Detected and Quantified	1.5 +/- 0.1 uM	PMID: 30994344	details
Detected and Quantified	1.40 +/- 0.04 uM	PMID: 30994344	details
Detected and Quantified	1 +/- 0.02 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.4 +/- 0.0364 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.481 +/- 0.0073 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.364 +/- 0.0291 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.42 +/- 0.0583 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.4 +/- 0.051 uM	Patricia Cava-Mon...	details

External Links

HMDB ID

HMDB0004142

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Barium

METLIN ID

Not Available

PubChem Compound

104810

PDB ID

Not Available

ChEBI ID

37136

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Z. Dobrzañski, R. Ko3acz, H. Górecka, K. Chojnacka, A. Bartkowiak (2005). Z. Dobrzañski et al. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Polish Journal of Environmental Studies Vol. 14, No 5 (2005), 685-689. Polish Journal of Environmental Studies .
A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
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 Barium (BMDB0004142)

Structure for BMDB0004142 (Barium)