Record Information
Version1.0
Creation date2010-04-08 22:06:07 UTC
Update date2019-11-26 02:59:52 UTC
Primary IDFDB004189
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameZirconium
DescriptionZirconium is a chemical element with the symbol Zr, atomic number 40 and atomic mass of 91.224. Zirconium forms a variety of inorganic and organometallic compounds such as zirconium dioxide and zirconocene dichloride, respectively. Five isotopes occur naturally, three of which are stable. Zirconium compounds have no biological role and are of low toxicity. The human body contains, on average, only 1 milligram of zirconium, and daily intake is approximately 50 ug per day. Zirconium content in human blood is as low as 10 parts per billion. Aquatic plants readily take up soluble zirconium, but it is rare in land plants. Seventy percent of plants have no detectable zirconium content, and those that do have as little as 5 parts per billion. [Wikipedia]. Zirconium is found in many foods, some of which are european plum, parsley, carrot, and endive.
CAS Number7440-67-7
Structure
Thumb
Synonyms
SynonymSource
40ZrChEBI
CirconioChEBI
ZirconioChEBI
ZirkoniumChEBI
ZrChEBI
ZircatHMDB
Zirconium compoundsbiospider
Zirconium hydridebiospider
Zirconium metalbiospider
Zirconium, boringsbiospider
Zirconium, clippingsbiospider
Zirconium, crystal barbiospider
Zirconium, elementalbiospider
Zirconium, scrapbiospider
Zirconium, turningsbiospider
Zirconium(II) hydridebiospider
Predicted Properties
PropertyValueSource
logP0ChemAxon
Physiological Charge0ChemAxon
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
Chemical FormulaZr
IUPAC namezirconium
InChI IdentifierInChI=1S/Zr
InChI KeyQCWXUUIWCKQGHC-UHFFFAOYSA-N
Isomeric SMILES[Zr]
Average Molecular Weight91.224
Monoisotopic Molecular Weight89.904703679
Classification
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 Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting Point1857 oC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-9000000000-eeb5929a6e02556f62fbSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-eeb5929a6e02556f62fbSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-eeb5929a6e02556f62fbSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-9000000000-40db25c0ee17df55c09eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-9000000000-40db25c0ee17df55c09eSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-9000000000-40db25c0ee17df55c09eSpectrum
NMRNot Available
ChemSpider ID103026
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID115139
Pubchem Substance IDNot Available
ChEBI ID33342
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01475
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDZIRCONIUM
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDZirconium
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).