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Bovine Rumen Metabolome Database

Showing metabocard for Zirconium (RMDB01475)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-04-01 11:55:03
Accession Number RMDB01475
Common Name Zirconium
Description The action of Zirconium (Zr) on biological systems presents an enigma. It is ubiquitous, being present in nature in amounts higher than most trace elements. It is taken up by plants from soil and water and accumulated in certain tissues. The entry into animal systems in vivo is related to the mode of exposure and the concentration in the surrounding environment. Retention is initially in soft tissues and then slowly in the bone. The metal is able to cross the blood brain-barrier and is deposited in the brain and the placental barrier to enter milk. Physiologically, it exists as an ion in the body. The daily human uptake has been known to be as high as 125 mg. The level of toxicity has been found to be moderately low, both in histological and cytological studies. The toxic effects induced by very high concentrations are nonspecific in nature. Despite the presence and retention in relatively high quantities in biological systems, Zr has not yet been associated with any specific metabolic function. Very little information is available about its interaction with the compounds of the genetical systems, such as nucleic acids. Apparently, the metal is neither an essential nor toxic element in the conventional sense. However, the increasing exposure to this element through its increasing use in new materials and following radioactive fallout, has increased the importance of the study of its effects on living organisms. The tetravalent nature of the ionic state and the high stability of the compounds formed are important factors that need to be considered, as also the accumulation of this element in the brain, reminiscent of the relationship between Aluminum and Alzheimer's disease. Zirconium is a metallic element with the atomic number 40 and mol wt 91.99, and belongs to the group IVB and second transition series of the fifth period of Mendeleyev's periodic table. It was named from Arabic zargun, meaning gold color. Discovered in the semiprecious gem zircon, as orthosilicate, by Klaproth in 1789, Zr was isolated as an element by Berzelius in 1824. In its metal form, Zr is hard and resistant to corrosion, heat, and acid. Zirconium behaves like an essential trace metal in the biosphere, although the possibility that it is a natural contaminant with no considerable physiological effects must be considered (PMID: 1283692, Biol Trace Elem Res. 1992 Dec;35(3):247-71.)
  1. circonio
  2. Zircat
  3. zirconio
  4. Zirkonium
  5. Zr
Chemical IUPAC Name zirconium
Chemical Formula [Zr]4+
Chemical Structure Structure
Chemical Taxonomy
  • Inorganic
Super Class
  • Inorganic compounds
  • Inorganic Ions and Gases
Sub Class
  • Metals
  • Mammalian_Metabolite
  • Endogenous
Average Molecular Weight 91.224
Monoisotopic Molecular Weight 89.904701
Isomeric SMILES [Zr+4]
Canonical SMILES [Zr+4]
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
METLIN ID Not Available
PubChem Compound 23995 Link Image
PubChem Substance Not Available
ChEBI ID 33342 Link Image
CAS Registry Number 7440-67-7
InChI Identifier InChI=1/Zr/q+4
Synthesis Reference Not Available
Melting Point (Experimental) 1857 oC
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility Not Available Calculated using ALOGPS
Physiological Charge 4
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 PDB File Show
Experimental PDB Structure
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
  • Rumen
Tissue Location
Concentrations (Normal)
Biofluid Rumen
Value 0.050 +/- 0.012 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 Not Available