Showing metabocard for Zirconium (LMDB00334)

IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-07-13 19:47:33 UTC
Update Date2016-09-23 18:45:12 UTC
LmdbLMDB00334
Secondary Accession NumbersNone
Metabolite Identification
Common NameZirconium
DescriptionThe 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 animal 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.).
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
CirconioHMDB
ZircatHMDB
ZirconioHMDB
ZirkoniumHMDB
ZrHMDB
Chemical FormulaZr
Average Molecular Weight91.224
Monoisotopic Molecular Weight89.904703679
IUPAC Namezirconium(4+) ion
Traditional Namezirconium(4+) ion
CAS Registry Number7440-67-7
SMILES
[Zr+4]
InChI Identifier
InChI=1S/Zr/q+4
InChI KeyGBNDTYKAOXLLID-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous transition metal
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
StatusDetected and Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0ChemAxon
Physiological Charge4ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-9000000000-eeb5929a6e02556f62fbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-eeb5929a6e02556f62fbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-eeb5929a6e02556f62fbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-9000000000-40db25c0ee17df55c09eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-9000000000-40db25c0ee17df55c09eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-9000000000-40db25c0ee17df55c09eSpectrum
Biological Properties
Cellular LocationsNot Available
Biofluid Locations and Tissue Locations
  • Ruminal Fluid
Concentrations
BiofluidStatusValueConditionSpeciesReferenceDetails
Ruminal FluidDetected and Quantified0.050 +/- 0.012 uMNot AvailableBovine
    • Saleem F, Bouatra...
 details
DrugBank IDNot Available
HMDB IDHMDB0001475
FooDB IDFDB004189
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkZirconium
Chemspider ID103026
ChEBI ID33342
PubChem Compound ID115139
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Ghosh S, Sharma A, Talukder G: Zirconium. An abnormal trace element in biology. Biol Trace Elem Res. 1992 Dec;35(3):247-71. [1283692 ]