Zinc molybdate (T3D0734)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (1)XML
Targets (1)
Record Information
Version2.0
Creation Date2009-03-27 01:04:28 UTC
Update Date2014-12-24 20:22:43 UTC
Accession NumberT3D0734
Identification
Common NameZinc molybdate
ClassSmall Molecule
DescriptionZinc molybdate (ZnMoO4) is a chemical compound of zinc and molybdenum. It is used as a corrosion inhibitor. Zinc is a metallic element with the atomic number 30. It is found in nature most often as the mineral sphalerite. Though excess zinc in harmful, in smaller amounts it is an essential element for life, as it is a cofactor for over 300 enzymes and is found in just as many transcription factors. (2, 3, 4) Zinc molybdate is an inorganic material found in nature with two different types of crystalline phases: ‘±-triclinic and beta-monoclinic. In the ‘±-ZnMoO4 triclinic structure, all zinc (Zn) atoms are bonded to six oxygen (O) atoms, forming the distorted octahedral clusters. The molybdenum (Mo) atoms are coordinated to four O atoms, resulting in the tetrahedral clusters . On the other hand, the beta-ZnMoO4 monoclinic structure has both Zn and Mo atoms bonded to six O atoms, which promote the origin of distorted octahedral / clusters, respectively . Moreover, ZnMoO4 is an inorganic chemical compound. It is white to light-gray in color, which can be used as a corrosion inhibitor in paints and adhesives. While highly soluble molybdates (e.g. sodium molybdate) are toxic in high doses, zinc molybdate is essentially non-toxic because of its insolubility in water. Molybdates possess a lower toxicity than chromates or lead salts and are therefore seen as an interesting alternative to these salts for corrosion inhibition. One of the most common methods used to synthesize zinc molybdate is by mixing aqueous solutions of sodium molybdate and zinc chloride: the insoluble zinc molybdate will crystallize from this mixture. A less common procedure used is blending solid molybdenum trioxide powder with zinc oxide powder and then heating the mixture to above 600°C.
Compound Type
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Synthetic Compound
  • Zinc Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Zinc molybdic acid
ZnMoO4
Chemical FormulaH6MoO4Zn
Average Molecular Mass231.390 g/mol
Monoisotopic Mass231.861 g/mol
CAS Registry Number13767-32-3
IUPAC Namezinc(2+) ion dihydrate molybdenum dihydroxide
Traditional Namezinc(2+) ion dihydrate molybdenum dihydroxide
SMILESO.O.[OH-].[OH-].[Zn++].[Mo]
InChI IdentifierInChI=1S/Mo.4H2O.Zn/h;4*1H2;/q;;;;;+2/p-2
InChI KeyInChIKey=DCMCZXKWIFCESR-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as transition metal hydroxides. These are inorganic compounds in which the largest oxoanion is hydroxide, and in which the heaviest atom not in an oxoanion is a transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassTransition metal oxoanionic compounds
Sub ClassTransition metal hydroxides
Direct ParentTransition metal hydroxides
Alternative Parents
Substituents
  • Transition metal hydroxide
  • Inorganic hydride
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cell surface
  • Cytoplasm
  • Cytosol
  • Extracellular
  • Mitochondrion
  • Plasma Membrane
  • Secretory vesicle
Biofluid LocationsNot Available
Tissue LocationsNot Available
Pathways
NameSMPDB LinkKEGG Link
Abc transportersNot Availablemap02010
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite crystals.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
LogPNot Available
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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-0090000000-a5dc86b8b29870e33f992016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-0090000000-a5dc86b8b29870e33f992016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-0090000000-a5dc86b8b29870e33f992016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0090000000-8a4440943706315c8c282016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0090000000-8a4440943706315c8c282016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-0090000000-8a4440943706315c8c282016-08-03View Spectrum
Toxicity Profile
Route of ExposureInhalation (3) ; oral (3) ; dermal (3)
Mechanism of ToxicityAnaemia results from the excessive absorption of zinc suppressing copper and iron absorption, most likely through competitive binding of intestinal mucosal cells. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS). Stomach acid dissolves metallic zinc to give corrosive zinc chloride, which can cause damage to the stomach lining. Metal fume fever is thought to be an immune response to inhaled zinc. (2, 3, 1)
MetabolismZinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces. (3)
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesZinc molybdate is used as a corrosion inhibitor. (4)
Minimum Risk LevelIntermediate Oral: 0.3 mg/kg/day (6) Chronic Oral: 0.3 mg/kg/day (6)
Health EffectsChronic exposure to zinc causes anemia, atazia, lethargy, and decreases the level of good cholesterol in the body. It is also believed to cause pancreatic and reproductive damage. (3)
SymptomsIngestion of large doses of zinc causes stomach cramps, nausea, and vomiting. Acute inhalation of large amounts of zinc causes metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Dermal contact with zinc results in skin irritation. (3)
TreatmentZinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (3)
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
PubChem Compound ID16213780
ChEMBL IDNot Available
ChemSpider ID10626120
KEGG IDNot Available
UniProt IDNot Available
OMIM ID
ChEBI IDNot Available
BioCyc IDNot Available
CTD IDNot Available
Stitch IDZinc molybdate
PDB IDNot Available
ACToR IDNot Available
Wikipedia LinkNot Available
References
Synthesis ReferenceNot Available
MSDST3D0734.pdf
General References
  1. Vonk WI, Klomp LW: Role of transition metals in the pathogenesis of amyotrophic lateral sclerosis. Biochem Soc Trans. 2008 Dec;36(Pt 6):1322-8. doi: 10.1042/BST0361322. [19021549 ]
  2. Wikipedia. Zinc. Last Updated 24 March 2009. [Link]
  3. ATSDR - Agency for Toxic Substances and Disease Registry (2005). Toxicological profile for zinc. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  4. Wikipedia. Zinc molybdate. Last Updated 16 March 2009. [Link]
  5. Wikipedia. Metallothionein. Last Updated 20 December 2008. [Link]
  6. ATSDR - Agency for Toxic Substances and Disease Registry (2001). Minimal Risk Levels (MRLs) for Hazardous Substances. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available

Targets

Target Details
1. Superoxide dismutase [Cu-Zn]
General Function:
Zinc ion binding
Specific Function:
Destroys radicals which are normally produced within the cells and which are toxic to biological systems.
Gene Name:
SOD1
Uniprot ID:
P00441
Molecular Weight:
15935.685 Da
References
  1. Vonk WI, Klomp LW: Role of transition metals in the pathogenesis of amyotrophic lateral sclerosis. Biochem Soc Trans. 2008 Dec;36(Pt 6):1322-8. doi: 10.1042/BST0361322. [19021549 ]