Zinc acetate (T3D0720)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (1)XML
Targets (1)
Record Information
Version2.0
Creation Date2009-03-27 00:18:41 UTC
Update Date2014-12-24 20:22:40 UTC
Accession NumberT3D0720
Identification
Common NameZinc acetate
ClassSmall Molecule
DescriptionNutrient supplement. Zinc acetate is the chemical compound with the formula Zn(O2CCH3)2, which commonly occurs as a dihydrate Zn(O2CCH3)2(H2O)2. Both the hydrate and the anhydrous forms are colorless solids that are commonly used in chemical synthesis and as dietary supplements. Zinc acetates are prepared by the action of acetic acid on zinc carbonate or zinc metal. When used as a food additive, it has the E number E650. (Wikipedia).
Compound Type
  • Cosmetic Toxin
  • Food Toxin
  • Household Toxin
  • Industrial/Workplace Toxin
  • Metabolite
  • Organic Compound
  • Organometallic
  • Synthetic Compound
  • Zinc Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Acetic acid, zinc salt
Acetic acid, zinc(II) salt
Dicarbomethoxyzinc
Zinc acetic acid
Zinc diacetate
Chemical FormulaC4H6O4Zn
Average Molecular Mass183.497 g/mol
Monoisotopic Mass181.956 g/mol
CAS Registry Number557-34-6
IUPAC Namezinc(2+) ion diacetate
Traditional Namezinc(2+) ion diacetate
SMILES[Zn++].CC([O-])=O.CC([O-])=O
InChI IdentifierInChI=1S/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChI KeyInChIKey=DJWUNCQRNNEAKC-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acids
Direct ParentCarboxylic acids
Alternative Parents
Substituents
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Actin Filament
  • Apical Membrane
  • Cell junction
  • Cell surface
  • Cytoplasm
  • Cytoskeleton
  • Cytosol
  • Early endosome
  • Endoplasmic reticulum
  • Endosome
  • Extracellular
  • Extracellular matrix
  • Focal adhesion
  • Golgi apparatus
  • Intracellular Vesicle
  • Microsome
  • Microtubule
  • Mitochondrion
  • Nuclear Membrane
  • Nucleolus
  • Peroxisomal Matrix
  • Peroxisomal Membrane
  • Peroxisome
  • Plasma Membrane
  • Ribosome
  • Sarcoplasm
  • Sarcoplasmic Reticulum
  • Synaptic Vesicle
Biofluid LocationsNot Available
Tissue LocationsNot Available
Pathways
NameSMPDB LinkKEGG Link
ApoptosisNot Availablemap04210
Antiviral AgentsNot AvailableNot Available
Cell cycleNot Availablemap04110
Aflatoxin BiosynthesisNot AvailableNot Available
SpliceosomeNot Availablemap03040
Renin-angiotensin systemNot Availablemap04614
Rna polymeraseNot Availablemap03020
Nucleotide Excision RepairSMP00478 map03420
Long-term potentiationNot Availablemap04720
Toluene DegradationNot AvailableNot Available
Steroid BiosynthesisSMP00023 map00100
Pentose Phosphate PathwaySMP00031 map00030
Mismatch repairNot Availablemap03430
Insulin secretionNot Availablemap04911
Dna replicationNot Availablemap03030
Carbon MetabolismNot AvailableNot Available
AminoglycosidesNot AvailableNot Available
Applications
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point242°C
Boiling PointNot Available
Solubility303 mg/mL
LogP-0.17
Predicted Properties
PropertyValueSource
Water Solubility49.9 g/LALOGPS
logP0.2ALOGPS
logP-0.22ChemAxon
logS-0.57ALOGPS
pKa (Strongest Acidic)4.54ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity23.48 m³·mol⁻¹ChemAxon
Polarizability4.96 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureInhalation (5) ; oral (5) ; dermal (5)
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. (4, 5, 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. (5)
Toxicity ValuesLD50: 2510 mg/kg (Oral, Rat) (2) LD50: 57 mg/kg (Intraperitoneal, Mouse) (2)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesZinc acetate is used in dietary supplements, wood preserving, and the manufacturing other zinc salts and chemicals. (6)
Minimum Risk LevelIntermediate Oral: 0.3 mg/kg/day (8) Chronic Oral: 0.3 mg/kg/day (8)
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. (5)
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. (5)
TreatmentZinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (5)
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB36495
PubChem Compound ID11192
ChEMBL IDCHEMBL1200928
ChemSpider ID10719
KEGG IDC00033
UniProt IDNot Available
OMIM ID276100 , 601705
ChEBI ID62984
BioCyc IDACET
CTD IDNot Available
Stitch IDZinc acetate
PDB IDNot Available
ACToR ID9957
Wikipedia LinkZinc_acetate
References
Synthesis ReferenceNot Available
MSDSLink
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. Lewis RJ Sr. (ed) (2004). Sax's Dangerous Properties of Industrial Materials. 11th Edition. Hoboken, NJ: Wiley-Interscience, Wiley & Sons, Inc.
  3. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.
  4. Wikipedia. Zinc. Last Updated 24 March 2009. [Link]
  5. 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]
  6. Wikipedia. Zinc acetate. Last Updated 17 February 2009. [Link]
  7. Wikipedia. Metallothionein. Last Updated 20 December 2008. [Link]
  8. 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 ]