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Bovine Rumen Metabolome Database

Showing metabocard for Aluminum (RMDB01247)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-03-27 17:09:47
Accession Number RMDB01247
Common Name Aluminum
Description Aluminium is a soft, lightweight metal with appearance ranging from silvery to dull gray, depending on the surface roughness. Data indicate that aluminum contaminates much of the raw material used to manufacture solutions used for intravenous nutritional support of hospitalized and ambulatory patients, and that pharmaceutical manufacturers have only recently obtained the technology necessary to detect aluminum contamination of their products. As a result, aluminum bypassed normal barriers and entered the blood, accumulating in tissues such as bone, liver and the central nervous system with toxic consequences. Now that the FDA has finally issued a rule governing aluminum contamination in these solutions, manufacturers will need to develop methods to minimize such contamination; scientists should also realize that when data they obtain indicate a serious problem in the manufacturing sector they should be sure that the problem is properly addressed.Physiologically, this metal/element exists as an ion in the body. (PMID: 16198633)
  1. Al
  2. Alloy
  3. ALN
  4. Alugel
  5. Alum
  6. Alumen
  7. Alumina
Chemical IUPAC Name aluminum
Chemical Formula [Al]3+
Chemical Structure Structure
Chemical Taxonomy
  • Inorganic
Super Class
  • Inorganic compounds
  • Inorganic Ions and Gases
Sub Class
  • Metals
  • Mammalian_Metabolite
  • Osmolyte, enzyme cofactor, signalling
  • Exogenous
Average Molecular Weight 26.982
Monoisotopic Molecular Weight 26.981541
Isomeric SMILES [Al+3]
Canonical SMILES [Al+3]
KEGG Compound ID C06264 Link Image
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Aluminum Link Image
METLIN ID Not Available
PubChem Compound 5359268 Link Image
PubChem Substance 24852422 Link Image
ChEBI ID 28984 Link Image
CAS Registry Number 7429-90-5
InChI Identifier InChI=1/Al/q+3
Synthesis Reference Kang, B. S.; Kim, W. B.; Park, Y. S.; Yoo, Y. H. Recovery of aluminum from anthracite ash. Konghak Nonjip (1989), 30 57-70.
Melting Point (Experimental) 660 oC
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility Not Available Calculated using ALOGPS
Physiological Charge 3
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity Not Available Calculated using ALOGPS
Material Safety Data Sheet (MSDS)
MOL File Show Link Image
SDF File Show Link Image
PDB File Show Link Image
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Not Available
Not Available
Predicted 13C NMR Spectrum Not Available
Not Available
Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
Biofluid Location
  • Cow_Milk
  • Rumen
Tissue Location Not Available
Concentrations (Normal)
Biofluid Rumen
Value 156.48 +/- 5.337 uM
Age N/A
Sex Female
Condition Normal
Breed Not Available
Experimental Condition Not Available
Comments Not Available
  • The rumen metabolome (in preparation)
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References
  1. Wikipedia Link Image