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Human Metabolome Database Version 3.5

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Showing metabocard for Barium (HMDB04142)

Record Information
Version 3.5
Creation Date 2006-08-13 06:55:33 -0600
Update Date 2013-05-13 14:19:44 -0600
HMDB ID HMDB04142
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 humans, 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 humans 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 humans 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 Thumb
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Display: 2D Structure | 3D Structure
Synonyms
  1. Ba
  2. Bario [spanish]
  3. Baryum [french]
Chemical Formula Ba
Average Molecular Weight 137.327
Monoisotopic Molecular Weight 137.905241273
IUPAC Name barium(2+) ion
Traditional IUPAC Name barium(2+)
CAS Registry Number 7440-39-3
SMILES [Ba++]
InChI Identifier InChI=1S/Ba/q+2
InChI Key XDFCIPNJCBUZJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom Inorganic Compounds
Super Class Homogeneous Metal Compounds
Class Homogeneous Alkaline Earth Metal Compounds
Sub Class N/A
Other Descriptors
  • a cation(Cyc)
  • barium cation(ChEBI)
  • divalent metal cation(ChEBI)
  • monoatomic dication(ChEBI)
Substituents
  • N/A
Direct Parent Homogeneous Alkaline Earth Metal Compounds
Ontology
Status Detected and Quantified
Origin
  • Endogenous
Biofunction
  • Osmolyte, enzyme cofactor, signalling
Application Not Available
Cellular locations Not Available
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
Hydrogen Acceptor Count 0 ChemAxon
Hydrogen Donor Count 0 ChemAxon
Polar Surface Area 0 A2 ChemAxon
Rotatable Bond Count 0 ChemAxon
Refractivity 0 ChemAxon
Polarizability 1.78 ChemAxon
Formal Charge 2 ChemAxon
Physiological Charge 2 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations Not Available
Biofluid Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Urine
Tissue Location Not Available
Pathways Not Available
Normal Concentrations
Biofluid Status Value Age Sex Condition Reference
Blood Detected and Quantified
0.005 +/- 0.0026 uM Elderly (>65 years old) Both Normal
Blood Detected and Quantified
0.0084 +/- 0.0039 uM Adult (>18 years old) Both Normal
Blood Detected and Quantified
0.0050 +/- 0.0026 uM Elderly (>65 years old) Both Normal
Cerebrospinal Fluid (CSF) Detected and Quantified
0.223 +/- 0.236 uM Adult (>18 years old) Not Specified Normal
  • Mandal R, Gu...
Cerebrospinal Fluid (CSF) Detected and Quantified
0.09 +/- 0.03 uM Adult (>18 years old) Both Normal
Urine Detected and Quantified
0.0070 (0.0001-0.0655) umol/mmol creatinine Adult (>18 years old) Both Comment Normal
  • Bouatra, S. ...
Urine Detected and Quantified
0.0129 +/- 0.0320 umol/mmol creatinine Adult (>18 years old) Male Normal
Abnormal Concentrations
Biofluid Status Value Age Sex Condition Reference
Blood Detected and Quantified 0.0104 +/- 0.00517 uM Adult (>18 years old) Both Multiple sclerosis
Blood Detected and Quantified 0.0103 +/- 0.00079 uM Adult (>18 years old) Both Comment Multiple sclerosis
Blood Detected and Quantified 0.0048 +/- 0.0016 uM Adult (>18 years old) Both Parkinson's disease
Blood Detected and Quantified 0.0042 +/- 0.0019 uM Elderly (>65 years old) Both Alzheimer's disease
Associated Disorders and Diseases
Disease References
Alzheimer's disease
  • Bocca B, Forte G, Petrucci F, Pino A, Marchione F, Bomboi G, Senofonte O, Giubilei F, Alimonti A: Monitoring of chemical elements and oxidative damage in patients affected by Alzheimer's disease. Ann Ist Super Sanita. 2005;41(2):197-203. Pubmed: 16244393 Link_out
    Multiple sclerosis
    • Forte G, Visconti A, Santucci S, Ghazaryan A, Figa-Talamanca L, Cannoni S, Bocca B, Pino A, Violante N, Alimonti A, Salvetti M, Ristori G: Quantification of chemical elements in blood of patients affected by multiple sclerosis. Ann Ist Super Sanita. 2005;41(2):213-6. Pubmed: 16244395 Link_out
      Parkinson's disease
      • Forte G, Alimonti A, Pino A, Stanzione P, Brescianini S, Brusa L, Sancesario G, Violante N, Bocca B: Metals and oxidative stress in patients with Parkinson's disease. Ann Ist Super Sanita. 2005;41(2):189-95. Pubmed: 16244392 Link_out
        Associated OMIM IDs
        DrugBank ID Not Available
        DrugBank Metabolite ID Not Available
        Phenol Explorer Compound ID Not Available
        Phenol Explorer Metabolite ID Not Available
        FoodDB ID FDB003764
        KNApSAcK ID Not Available
        Chemspider ID 94609 Link_out
        KEGG Compound ID C13881 Link_out
        BioCyc ID Not Available
        BiGG ID Not Available
        Wikipedia Link Barium Link_out
        NuGOwiki Link HMDB04142 Link_out
        Metagene Link HMDB04142 Link_out
        METLIN ID Not Available
        PubChem Compound 104810 Link_out
        PDB ID BA Link_out
        ChEBI ID 37136 Link_out
        References
        Synthesis Reference Not Available
        Material Safety Data Sheet (MSDS) Download (PDF)
        General References Not Available