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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2020-02-26 21:23:24 UTC
HMDB IDHMDB0001475
Secondary Accession Numbers
  • HMDB01475
Metabolite Identification
Common NameZirconium
Description
Structure
Data?1582752204
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
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point1857 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular 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 FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zirconium 10V, Positive-QTOFsplash10-0006-9000000000-eeb5929a6e02556f62fb2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zirconium 20V, Positive-QTOFsplash10-0006-9000000000-eeb5929a6e02556f62fb2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zirconium 40V, Positive-QTOFsplash10-0006-9000000000-eeb5929a6e02556f62fb2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zirconium 10V, Negative-QTOFsplash10-000i-9000000000-40db25c0ee17df55c09e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zirconium 20V, Negative-QTOFsplash10-000i-9000000000-40db25c0ee17df55c09e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zirconium 40V, Negative-QTOFsplash10-000i-9000000000-40db25c0ee17df55c09e2016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.00099 +/- 0.00077 uMElderly (>65 years old)Both
Parkinson's disease
details
BloodDetected and Quantified0.00417 +/- 0.00186 uMElderly (>65 years old)Both
Parkinson's disease
details
Associated Disorders and Diseases
Disease References
Parkinson's disease
  1. 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 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB004189
KNApSAcK IDNot Available
Chemspider ID103026
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkZirconium
METLIN IDNot Available
PubChem Compound115139
PDB IDNot Available
ChEBI ID33342
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
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. [PubMed:1283692 ]