SODIUM METABISULFITE (CED0004677)

Record Information
Version1.0
Creation Date2016-05-19 02:26:38 UTC
Update Date2026-05-14 19:53:15 UTC
Accession NumberCHEM007512
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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
490Personal care & cosmeticsNot Available
495CeilingsBuilding & ConstructionNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
543Cellar ToolsFood, food processing & cookwareNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
602MolluscicidesAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
641Foam DyeingTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

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)4.9045
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)5300.44
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)6268.26
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)5181.1
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)508.511
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)4069.96
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)508.044
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)4727.78
Click to view 3D structureCarbonic anhydraseP40881Methanosarcina thermophilaPredicted (SEA)211.205
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)677.133
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)6126.97
Click to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)1942.73
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)6378.89
Click to view 3D structurePROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)P96878Mycobacterium tuberculosisPredicted (SEA)1966.7
Click to view 3D structureCarbonic anhydraseP53615Saccharomyces cerevisiae S288cPredicted (SEA)768.216
Click to view 3D structureDelta carbonic anhydraseQ5U9J1Conticribra weissflogiiPredicted (SEA)793.517
Click to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)3153.2
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)939.095
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)1135.98
Click to view 3D structureCarbonic anhydrase, alpha familyQ31FD6Thiomicrospira crunogenaPredicted (SEA)939.173
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)4382.05
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)2026.34
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)2798.91
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)6093.65
Lymphotoxin-alpha structureClick to view 3D structureLymphotoxin-alphaP01374HumansPredicted (SEA)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 References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=26515667
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=26700884
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=26799451
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=26928470
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=27037703