ZINC CARBONATE

General Information

Mainterm	ZINC CARBONATE
Doc Type	NUL
CAS Reg.No.(or other ID)	3486-35-9
Regnum	176.170 177.2260 177.2600 178.3297 177.1680 582.80

From www.fda.gov

Computed Descriptors

2D Structure
CID	19005
IUPAC Name	zinc;carbonate
InChI	InChI=1S/CH2O3.Zn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
InChI Key	FMRLDPWIRHBCCC-UHFFFAOYSA-L
Canonical SMILES	C(=O)([O-])[O-].[Zn+2]
Molecular Formula	ZnCO3
Wikipedia	zinc monocarbonate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	125.388
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Complexity	18.8
CACTVS Substructure Key Fingerprint	A A A D c Q A A M A A A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A g A A A A A A A A A A A A A A C A A A A A A I A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	63.2
Monoisotopic Mass	123.914
Exact Mass	123.914
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	5
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

From Pubchem

Toxicity Profile

Route of Exposure	Inhalation ; oral ; dermal
Mechanism of Toxicity	Anaemia 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.
Metabolism	Zinc 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.
Toxicity Values
Lethal Dose
Carcinogenicity (IARC Classification)	No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk Level	Intermediate Oral: 0.3 mg/kg/day Chronic Oral: 0.3 mg/kg/day
Health Effects	Chronic 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. (L49)
Treatment	Zinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage.
Reference	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 ]

From T3DB

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic carbonic acids and derivatives
Subclass	Organic carbonic acids
Intermediate Tree Nodes	Not available
Direct Parent	Organic carbonic acids
Alternative Parents	Hydrocarbon derivatives Organic transition metal salts Carbonyl compounds Carbonate salts Organic oxides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carbonate salt - Carbonic acid - Organic transition metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.

From ClassyFire

Targets

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

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 ]

From T3DB