Zinc sulfate (T3D0744)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (1)XML
Targets (1)
Record Information
Version2.0
Creation Date2009-03-27 01:47:29 UTC
Update Date2014-12-24 20:22:45 UTC
Accession NumberT3D0744
Identification
Common NameZinc sulfate
ClassSmall Molecule
DescriptionZinc sulfate is used as a malting/fermenting aid and as a nutrient supplement Zinc sulfate (ZnSO4) is a colorless crystalline, water-soluble chemical compound. The hydrated form, ZnSO4*7H2O, the mineral goslarite, was historically known as white vitriol and can be prepared by reacting zinc with aqueous sulfuric acid. It may also be prepared by adding solid zinc to a copper(II) sulfate solution.
Zinc sulfate has been shown to exhibit antibiotic and anti-spectic functions (2, 3).
Zinc sulfate belongs to the family of Transition Metal Sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a transition metal.
Compound Type
  • Cosmetic Toxin
  • Food Toxin
  • Household Toxin
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Metabolite
  • Natural Compound
  • Zinc Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Bonazen
Bufopto zinc sulfate
Bufopto zinc sulphate
Complexonat
Kreatol
Medizinc
Neozin
Nu-z
Op-thal-zin
Optised
Optraex
Orazinc
Prefrin-z
Solvazinc
Solvezinc
Solvezink
Sulfate, zinc
Sulfuric acid zinc salt
Sulfuric acid zinc salt (1:1)
Sulfuric acid, zinc salt
Sulfuric acid, zinc salt (1:1)
Verazinc
Visine-ac
White copperas
White vitriol
Z-Span
Zinc sulfate (1:1)
Zinc sulfate anhydrous
Zinc sulfate, heptahydrate
Zinc sulfic acid
Zinc sulphate
Zinc sulphate (1:1)
Zinc sulphate anhydrous
Zinc sulphate, heptahydrate
Zinc sulphic acid
Zinc vitriol
Zinc(2+) sulfate
Zinc(2+) sulphate
Zinc(II) sulfate
Zinc(II) sulphate
Zincaps
Zincate
Zincomed
Zincosite
Zincteral
Zink-gro
Zinklet
Zinkosite
ZnSO4
Chemical FormulaO4SZn
Average Molecular Mass161.472 g/mol
Monoisotopic Mass159.881 g/mol
CAS Registry Number7733-02-0
IUPAC Namezinc(2+) ion sulfate
Traditional Namezinc(2+) ion sulfate
SMILES[Zn++].[O-]S([O-])(=O)=O
InChI IdentifierInChI=1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2
InChI KeyInChIKey=NWONKYPBYAMBJT-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, 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 sulfates
Direct ParentTransition metal sulfates
Alternative Parents
Substituents
  • Transition metal sulfate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point680°C (decomp, anhydrous); 100°C (heptahydrate); 70°C (decomp, hexahydrate)
Boiling Point740°C
SolubilityNot Available
LogPNot Available
Predicted Properties
PropertyValueSource
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.53 m³·mol⁻¹ChemAxon
Polarizability5.81 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-08fr-0900000000-72ac9ed930d23dbb40172017-09-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-48775fcf40f0f842d5232016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-48775fcf40f0f842d5232016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0900000000-48775fcf40f0f842d5232016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0900000000-f97eaf04015541239a422016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0900000000-f97eaf04015541239a422016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0900000000-f97eaf04015541239a422016-08-03View Spectrum
Toxicity Profile
Route of ExposureInhalation (9) ; oral (9) ; dermal (9)
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. (8, 9, 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. (9)
Toxicity ValuesLD50: 57 mg/kg (Oral, Mouse) (5) LD50: 71.7 mg/kg (Intraperitoneal, Mouse) (5) LD50: 40 mg/kg (Intravenous, Rat) (6)
Lethal Dose10 to 30 grams for and adult human. (4)
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesZinc sulfate is used in animal feeds, fertilizers, agricultural sprays, electrolytes for zinc plating, as a mordant in dyeing, as a preservative for skins and leather and in medicine as an astringent and emetic. (10)
Minimum Risk LevelIntermediate Oral: 0.3 mg/kg/day (12) Chronic Oral: 0.3 mg/kg/day (12)
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. (9)
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. (9)
TreatmentZinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (9)
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB34907
PubChem Compound ID24424
ChEMBL IDCHEMBL1200929
ChemSpider ID22833
KEGG IDNot Available
UniProt IDNot Available
OMIM ID
ChEBI ID35176
BioCyc IDNot Available
CTD IDD019287
Stitch IDZinc sulfate
PDB IDNot Available
ACToR ID12163
Wikipedia LinkZinc_sulfate
References
Synthesis ReferenceNot Available
MSDST3D0744.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. Ozkan S, Ozkan H, Fetil E, Corapcioglu F, Yilmaz S, Ozer E: Acrodermatitis enteropathica with Pseudomonas aeruginosa sepsis. Pediatr Dermatol. 1999 Nov-Dec;16(6):444-7. [10632941 ]
  3. Kneist W, Hempel B, Borelli S: [Clinical double-blind trial of topical zinc sulfate for herpes labialis recidivans]. Arzneimittelforschung. 1995 May;45(5):624-6. [7612066 ]
  4. Rumack BH (2008). POISINDEX(R) Information System. Englewood, CO: Micromedex, Inc. CCIS Volume 138, edition expires Nov, 2008.
  5. Lewis RJ Sr. (ed) (2004). Sax's Dangerous Properties of Industrial Materials. 11th Edition. Hoboken, NJ: Wiley-Interscience, Wiley & Sons, Inc.
  6. European Chemicals Bureau (2000). IUCLID Dataset, Zinc sulphate (7733-02-0) (2000 CD-ROM edition).
  7. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.
  8. Wikipedia. Zinc. Last Updated 24 March 2009. [Link]
  9. 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]
  10. Wikipedia. Zinc sulfate. Last Updated 18 March 2009. [Link]
  11. Wikipedia. Metallothionein. Last Updated 20 December 2008. [Link]
  12. 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 Genes
GeneGene SymbolGene IDInteractionChromosomeDetails
Down-Regulated Genes
GeneGene SymbolGene IDInteractionChromosomeDetails

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 ]