SODIUM METABISULFITE (CED0004677)

Record Information
Version1.0
Creation Date2016-05-19 02:26:38 UTC
Update Date2026-05-14 19:53:15 UTC
SynCED IDCED0004677
Secondary Accession Numbers
  • CHEM007512
Identification
Common NameSODIUM METABISULFITE
ClassSmall Molecule
Description
Sodium metabisulfite is an inorganic compound with the chemical formula Na2O5S2 and an average molecular weight of 190.09 g/mol. SODIUM METABISULFITE belongs to the alkali metal dithionites, a subclass of alkali metal oxoanionic compounds within the inorganic compounds. It is further classified as a mixed metal/non-metal compound. This compound serves a wide variety of industrial roles and uses. It is utilized as a food preservative, preservative, antioxidant, and stabilizing agent. Additionally, it functions as an oxidizing agent, biocide, fragrance, dye, filler, and heat transferring agent. Sodium metabisulfite is found in or released from twelve recorded sources across several categories. In the realm of food, food processing, and cookware, it is associated with cellar tools, the preparation of malt, the preparation of vinegar, the preparation of wine or sparkling wine, and fermentation processes for beer, among two other sources. Within household cleaning and consumer products, it is found in bleaching agents and tobacco smoke filters. In the category of electrical and electronic equipment, it is present in power cables and electrically stimulated smoking devices. Finally, it is found in building and construction materials, specifically ceilings.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
Disodium disulfiteChEBI
Disodium disulphiteChEBI
Disodium metabisulfiteChEBI
Disodium pyrosulfiteChEBI
Disulfurous acid, disodium saltChEBI
e223ChEBI
Na2S2O5ChEBI
Pyrosulfurous acid, disodium saltChEBI
Sodium metabisulfiteChEBI
Sodium metabisulphiteChEBI
Sodium pyrosulfiteChEBI
Sodium pyrosulphiteChEBI
Disodium metabisulphiteGenerator
Disodium pyrosulphiteGenerator
Disulphurous acid, disodium saltGenerator
Pyrosulphurous acid, disodium saltGenerator
Sodium disulphiteGenerator
Sodium disulfiteMeSH
Sodium metabisulfite, 35S2-labeled CPDMeSH
Na(2)S(2)O(5)MeSH
Chemical FormulaNa2O5S2
Average Molecular Mass190.090 g/mol
Monoisotopic Mass189.898 g/mol
CAS Registry Number7681-57-4
IUPAC Namedisodium sulfinatosulfonate
Traditional Namedisodium metabisulfite
SMILES[Na+].[Na+].[O-]S(=O)S([O-])(=O)=O
InChI IdentifierInChI=1S/2Na.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2
InChI KeyHRZFUMHJMZEROT-UHFFFAOYSA-L
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as alkali metal dithionites. These are inorganic compounds in which the largest oxoanion is dithionite, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal dithionites
Direct ParentAlkali metal dithionites
Alternative Parents
Substituents
  • Alkali metal dithionite
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-1.6ChemAxon
pKa (Strongest Acidic)-2.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area97.33 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity18.73 m³·mol⁻¹ChemAxon
Polarizability9.14 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0900000000-5fb6f0685edfa31db73eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-1900000000-98d0aac465f34f90cbdaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9300000000-ac62fd7c9a6bc01970eeNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
80.0 mg/kg-day MouseLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
1.0 % diet RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
1.0 % diet RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
400.0 mg/kg-day MouseLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
1.0 % diet RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
1.0 % diet RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
1.0 % diet RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
1.0 % diet RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
1.0 % diet RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
70.0 mg/L RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
25.0 mg/L RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
250.0 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
1.0 % diet RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
70.0 mg/L RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
200.0 mg/kg-day MouseNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
300.0 mg/kg-day MouseLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
400.0 mg/kg-day MouseNOELoralexperimentalNot AvailableECOTOX - EPA ORD
40.0 mg/kg-day MouseNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
60.0 mg/kg-day MouseLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
200.0 mg/kg-day MouseLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
70.0 mg/L RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
25.0 mg/L RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
70.0 mg/L RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
3.2 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
350.0 mg/kg-day RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
27.5 mg/kg-day RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
520.0 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
520.0 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
260.0 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
27.5 mg/kg-day RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
520.0 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
3.2 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructureNot Available
CEDs000181Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.Marine, shipping & aquacultureNot Available
CEDs000182Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.Marine, shipping & aquacultureNot Available
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000495Ceilings?Ceilings in built environments can be a source of synthetic chemical contamination due to the materials used in their construction and finishes.Building & ConstructionNot Available
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentNot Available
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentNot Available
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentNot Available
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentNot Available
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.Electrical & Electronic EquipmentNot Available
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentNot Available
CEDs000543Cellar Tools?Cellar tools, commonly used in wine production and other fermentation processes, may pose a risk of synthetic chemical contamination if not properly maintained or if manufactured from substandard materials.Food, food processing & cookwareNot Available
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwareNot Available
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwareNot Available
CEDs000547Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.Food, food processing & cookwareNot Available
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.Food, food processing & cookwareNot Available
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwareNot Available
CEDs000550Preparation Of Wort?The preparation of wort involves the extraction of sugars from malted grains, a crucial step in the brewing process.Food, food processing & cookwareNot Available
CEDs000553Treatment Of Hops?Hops, a key ingredient in brewing and food flavoring, can be a source of synthetic chemical contamination due to various agricultural practices.Food, food processing & cookwareNot Available
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsNot Available
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsNot Available
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsNot Available
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsNot Available
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingNot Available
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingNot Available
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementNot Available
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementNot Available
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementNot Available
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsNot Available
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000612Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.Personal care & cosmeticsNot Available
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsNot Available
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsNot Available
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsNot Available
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
CEDs000641Foam Dyeing?Foam dyeing is a textile dyeing technique that utilizes a foaming agent to create a dye solution in a gaseous form, allowing for the application of dyes onto fabrics.Textiles, leather & furnishingsNot Available
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsNot Available
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsNot Available
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsNot Available
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsNot Available
CEDs000664Fire Fighting Gels?Fire fighting gels are synthetic chemical formulations designed to enhance fire suppression effectiveness by creating a protective barrier against heat and flames.Fire suppression systems & agentsNot Available
CEDs000668Non-PFAS Fire Fighting Foam?Non-PFAS fire fighting foam refers to fire suppression agents that do not contain per- and polyfluoroalkyl substances (PFAS), which are synthetic chemicals known for their water- and grease-resistant properties.Fire suppression systems & agentsNot Available
CEDs000670Solid Fire Fighting Substances?Solid fire fighting substances, such as certain types of dry chemical powders, are used in fire suppression applications to extinguish flames and prevent fire spread.Fire suppression systems & agentsNot Available
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementNot Available
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementNot Available
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionNot Available
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionNot Available
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionNot Available
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000712Combination Pens?Combination pens, which typically contain both ink and additional functionalities such as highlighters or stylus tips, may contribute to synthetic chemical contamination primarily through their ink formulations and plastic components.Paper, pulp & fiber productsNot Available
CEDs000716Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.Paper, pulp & fiber productsNot Available
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsNot Available
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionNot Available
CEDs000737Chemical Igniters?Chemical igniters are substances or devices designed to initiate combustion in various applications, often found in products like lighters, candles, and certain household cleaning agents.Household itemsNot Available
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsNot Available
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsNot Available
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsNot Available
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Dual specificity protein phosphatase 5 structureClick to view 3D structureDual specificity protein phosphatase 5Q16690HumansPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.207 Low confidence
Statistical Significance
6.30e-04
Supporting Reference Compounds
1
E-value
4.9045
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.2 Low confidence
Statistical Significance
0.6809
Supporting Reference Compounds
372
E-value
5300.44
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.2 Low confidence
Statistical Significance
0.8052
Supporting Reference Compounds
472
E-value
6268.26
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.2 Low confidence
Statistical Significance
0.6655
Supporting Reference Compounds
242
E-value
5181.1
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0653
Supporting Reference Compounds
43
E-value
508.511
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.2 Low confidence
Statistical Significance
0.5228
Supporting Reference Compounds
151
E-value
4069.96
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0653
Supporting Reference Compounds
41
E-value
508.044
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.2 Low confidence
Statistical Significance
0.6073
Supporting Reference Compounds
193
E-value
4727.78
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseP40881Methanosarcina thermophilaPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0271
Supporting Reference Compounds
22
E-value
211.205
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.2 Low confidence
Statistical Significance
0.087
Supporting Reference Compounds
44
E-value
677.133
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.194 Low confidence
Statistical Significance
0.787
Supporting Reference Compounds
332
E-value
6126.97
Beta-carbonic anhydrase 1 structureClick to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.194 Low confidence
Statistical Significance
0.2495
Supporting Reference Compounds
55
E-value
1942.73
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.2 Low confidence
Statistical Significance
0.8194
Supporting Reference Compounds
407
E-value
6378.89
Click to view 3D structurePROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)P96878Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.194 Low confidence
Statistical Significance
0.2526
Supporting Reference Compounds
38
E-value
1966.7
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseP53615Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0987
Supporting Reference Compounds
34
E-value
768.216
Click to view 3D structureDelta carbonic anhydraseQ5U9J1Conticribra weissflogiiPredicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.185 Low confidence
Statistical Significance
0.1019
Supporting Reference Compounds
35
E-value
793.517
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.185 Low confidence
Statistical Significance
0.405
Supporting Reference Compounds
68
E-value
3153.2
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.185 Low confidence
Statistical Significance
0.1206
Supporting Reference Compounds
40
E-value
939.095
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.185 Low confidence
Statistical Significance
0.1459
Supporting Reference Compounds
38
E-value
1135.98
Carbonic anhydrase, alpha family structureClick to view 3D structureCarbonic anhydrase, alpha familyQ31FD6Thiomicrospira crunogenaPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.185 Low confidence
Statistical Significance
0.1206
Supporting Reference Compounds
41
E-value
939.173
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.185 Low confidence
Statistical Significance
0.5629
Supporting Reference Compounds
78
E-value
4382.05
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.185 Low confidence
Statistical Significance
0.2603
Supporting Reference Compounds
46
E-value
2026.34
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.185 Low confidence
Statistical Significance
0.3595
Supporting Reference Compounds
64
E-value
2798.91
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.185 Low confidence
Statistical Significance
0.7827
Supporting Reference Compounds
172
E-value
6093.65
Lymphotoxin-alpha structureClick to view 3D structureLymphotoxin-alphaP01374HumansPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.158 Low confidence
Statistical Significance
0.0024
Supporting Reference Compounds
1
E-value
18.4503
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSodium_metabisulfite
Chemspider IDNot Available
ChEBI ID114786
PubChem Compound ID656671
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available