Zinc oxide
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Basic Info
| Common Name | Zinc oxide(F02660) |
| 2D Structure | |
| Description | Tetra-Basic Zinc Chloride (TBZC) is intended as a source of zinc for all animal species. TBZC is produced through a reactive crystallisation process in which zinc chloride is reacted with ammoniated zinc chloride and water. The resulting products are zinc chloride hydroxide monohydrate (91-95%) and zinc diammine chloride (5-9%). To remove zinc diammine chloride, the crude product is rinsed with water prior to the drying step. Some of the zinc diammine chloride is solubilised in this step and is removed by the water, while the remainder is converted to zinc oxide. |
| FRCD ID | F02660 |
| CAS Number | 1314-13-2 |
| PubChem CID | 6101932 |
| Formula | H2OZn |
| IUPAC Name | zinc;hydrate |
| InChI Key | IPCXNCATNBAPKW-UHFFFAOYSA-N |
| InChI | InChI=1S/H2O.Zn/h1H2; |
| Canonical SMILES | O.[Zn] |
| Isomeric SMILES | O.[Zn] |
| Synonyms |
zinc water
AC1L4GZL
AC1O0TVS
Zinc(1+), hydroxy-(9CI)
CTK4E9754
|
| Classifies |
Predicted: Pollutant
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Mixed metal/non-metal compounds |
| Class | Transition metal organides |
| Subclass | Transition metal oxides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Transition metal oxides |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Transition metal oxide - Inorganic oxide - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 83.395 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Complexity | 0 |
| Monoisotopic Mass | 81.94 |
| Exact Mass | 81.94 |
| Formal Charge | 0 |
| Heavy Atom Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9681 |
| Human Intestinal Absorption | HIA+ | 0.9438 |
| Caco-2 Permeability | Caco2+ | 0.7115 |
| P-glycoprotein Substrate | Non-substrate | 0.8701 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9826 |
| Non-inhibitor | 0.9840 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9247 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.4716 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8203 |
| CYP450 2D6 Substrate | Non-substrate | 0.9073 |
| CYP450 3A4 Substrate | Non-substrate | 0.8296 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8383 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9436 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9567 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9409 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9784 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9529 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9380 |
| Non-inhibitor | 0.9748 | |
| AMES Toxicity | Non AMES toxic | 0.8385 |
| Carcinogens | Carcinogens | 0.6635 |
| Fish Toxicity | Low FHMT | 0.8632 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.5096 |
| Honey Bee Toxicity | High HBT | 0.7972 |
| Biodegradation | Ready biodegradable | 0.7273 |
| Acute Oral Toxicity | II | 0.4869 |
| Carcinogenicity (Three-class) | Non-required | 0.6304 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | 0.5264 | LogS |
| Caco-2 Permeability | 1.3966 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.1657 | LD50, mol/kg |
| Fish Toxicity | 1.9453 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.9113 | pIGC50, ug/L |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Effects of aged ZnO NPs and soil type on Zn availability, accumulation and toxicity to pea and beet in a greenhouse experiment. | Ecotoxicol Environ Saf | 2018 Sep 30 | 29807295 |
| Mode of action of nanoparticles against insects. | Environ Sci Pollut Res Int | 2018 May | 29611126 |
| One-step synthesis of reduced graphene oxide sheathed zinc oxide nanoclusters for the trace level detection of bisphenol A in tissue papers. | Ecotoxicol Environ Saf | 2018 Jun 22 | 29940510 |
| Analytical, thermodynamical and kinetic characteristics of photoluminescence immunosensor for the determination of Ochratoxin A. | Biosens Bioelectron | 2018 Jan 15 | 28763785 |
| Nanocomposite of Half-Fin Anchovy Hydrolysates/Zinc Oxide Nanoparticles Exhibits Actual Non-Toxicity and Regulates Intestinal Microbiota, Short-Chain Fatty Acids Production and Oxidative Status in Mice. | Mar Drugs | 2018 Jan 11 | 29324644 |
| Molecular dynamics simulations of zinc oxide solubility: From bulk down to nanoparticles. | Food Chem Toxicol | 2018 Feb | 28736190 |
| Comparative study of the phytotoxicity of ZnO nanoparticles and Zn accumulation in nine crops grown in a calcareous soil and an acidic soil. | Sci Total Environ | 2018 Dec 10 | 29990925 |
| Toxic effect of triphenyltin in the presence of nano zinc oxide to marine copepod Tigriopus japonicus. | Environ Pollut | 2018 Dec | 30232019 |
| Bionanocomposites materials for food packaging applications: Concepts and future outlook. | Carbohydr Polym | 2018 Aug 1 | 29773372 |
| A Comparative In Vivo Scrutiny of Biosynthesized Copper and Zinc Oxide Nanoparticles by Intraperitoneal and Intravenous Administration Routes in Rats. | Nanoscale Res Lett | 2018 Apr 3 | 29616363 |
| Oxidative Stress in the Muscles of the Fish Nile Tilapia Caused by Zinc Oxide Nanoparticles and Its Modulation by Vitamins C and E. | Oxid Med Cell Longev | 2018 | 29849910 |
| Zinc Oxide Nanoparticle Induces Microglial Death by NADPH-Oxidase-Independent Reactive Oxygen Species as well as Energy Depletion. | Mol Neurobiol | 2017 Oct | 27714634 |
| Potential adverse effects of engineered nanomaterials commonly used in food on the miRNome. | Food Chem Toxicol | 2017 Nov | 28720288 |
| The protective role of vitamin E on Oreochromis niloticus exposed to ZnONP. | Ecotoxicol Environ Saf | 2017 Nov | 28689069 |
| Biological therapeutics of Pongamia pinnata coated zinc oxide nanoparticles against clinically important pathogenic bacteria, fungi and MCF-7 breast cancer cells. | Microb Pathog | 2017 Mar | 28115262 |
| Natural amelioration of Zinc oxide nanoparticle toxicity in fenugreek (Trigonella foenum-gracum) by arbuscular mycorrhizal (Glomus intraradices) secretion of glomalin. | Plant Physiol Biochem | 2017 Mar | 28107731 |
| Immune and reproductive system impairment in adult sea urchin exposed to nanosized ZnO via food. | Sci Total Environ | 2017 Dec 1 | 28460290 |
| Effects of Nano-zinc on Biochemical Parameters in Cadmium-Exposed Rats. | Biol Trace Elem Res | 2017 Dec | 28417309 |
| In vivo toxicity of copper oxide, lead oxide and zinc oxide nanoparticles acting in different combinations and its attenuation with a complex of innocuous bio-protectors. | Toxicology | 2017 Apr 1 | 28212817 |
| Effective Control of Molds Using a Combination of Nanoparticles. | PLoS One | 2017 | 28122038 |
Targets
- 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
- Mechanism of Action:
- Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS).
References
- 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 ]