Sulfur dioxide (ECMDB21359) (M2MDB001756)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes (1)Transporters (4)XML
Proteins (46)
Record Information
Version2.0
Creation Date2012-07-30 14:55:27 -0600
Update Date2015-06-03 17:21:13 -0600
Secondary Accession Numbers
  • ECMDB21359
Identification
Name:Sulfur dioxide
DescriptionSulfur dioxide is the chemical compound with the formula SO2. It is a toxic gas with a pungent, irritating smell. Further oxidation of SO2, usually in the presence of a catalyst such as NO2, forms sulfuric acid (H2SO4), and thus acid rain. Sulfur dioxide is an important compound in winemaking, where it serves as an antibiotic and antioxidant, protecting wine from spoilage by bacteria and oxidation. Its antimicrobial action also helps to minimize volatile acidity. (Wikipedia)
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • Dioxidosulfur
  • Dioxidosulphur
  • Fermenicide liquid
  • Fermenicide powder
  • Fermenticide liquid
  • Oxosulfane oxide
  • Oxosulphane oxide
  • Schwefel(4)-oxid
  • Schwefeldioxid
  • Schwefeldioxyd
  • Siarki dwutlenek
  • SO2
  • Sulfur dioxide
  • Sulfur dioxide (NF)
  • Sulfur dioxide (SO2)
  • Sulfur oxide
  • Sulfur oxide (SO2)
  • Sulfur superoxide
  • Sulfurous acid anhydride
  • Sulfurous anhydride
  • Sulfurous oxide
  • Sulphur dioxide
  • Sulphur dioxide (NF)
  • Sulphur dioxide (SO2)
  • Sulphur oxide
  • Sulphur oxide (SO2)
  • Sulphur superoxide
  • Sulphurous acid anhydride
  • Sulphurous anhydride
  • Sulphurous oxide
  • [SO2]
Chemical Formula:O2S
Weight:Average: 64.064
Monoisotopic: 63.961899934
InChI Key:RAHZWNYVWXNFOC-UHFFFAOYSA-N
InChI:InChI=1S/O2S/c1-3-2
CAS number:7446-09-5
IUPAC Name:(oxo-λ⁴-sulfanylidene)oxidane
Traditional IUPAC Name:sulfur dioxide
SMILES:O=S=O
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as other non-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 belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal oxides
Direct ParentOther non-metal oxides
Alternative Parents
Substituents
  • Other non-metal oxide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Physical Properties
State:Gas
Charge:0
Melting point:-72 °C (BP = -10oC)
Experimental Properties:
PropertyValueSource
Water Solubility:107 mg/mL at 21 deg CPhysProp
Predicted Properties
PropertyValueSource
logP0.32ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity8.64 m³·mol⁻¹ChemAxon
Polarizability4.25 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
3-Sulfinoalanine + 2 Hydrogen ion > L-Alanine + Sulfur dioxide
SMPDB Pathways:Not Available
KEGG Pathways:Not Available
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-9000000000-bbfabf900d287a000b60View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-5b7f4b63a1332198f1ddView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-5b7f4b63a1332198f1ddView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-5b7f4b63a1332198f1ddView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-6b67d68ad3886a960ba6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-6b67d68ad3886a960ba6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-6b67d68ad3886a960ba6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-2c4a3db8921d94d7f526View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-2c4a3db8921d94d7f526View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-2c4a3db8921d94d7f526View in MoNA
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID18422
HMDB IDHMDB0034834
Pubchem Compound ID1119
Kegg IDC09306
ChemSpider ID1087
WikipediaSulfur_dioxide
BioCyc IDSULFUR-DIOXIDE
EcoCyc IDSULFUR-DIOXIDE
Ligand ExpoSO2

Enzymes

Protein Details
1. Cysteine sulfinate desulfinase
General function:
Involved in metabolic process
Specific function:
Catalyzes the removal of elemental sulfur and selenium atoms from L-cysteine, L-cystine, L-selenocysteine, and L- selenocystine to produce L-alanine. L-cysteine sulfinic acid is the best substrate. Functions as a selenium delivery protein in the pathway for the biosynthesis of selenophosphate
Gene Name:
csdA
Uniprot ID:
Q46925
Molecular weight:
43234

Transporters

Protein Details
1. Outer membrane protein N
General function:
Involved in transporter activity
Specific function:
Non-specific porin
Gene Name:
ompN
Uniprot ID:
P77747
Molecular weight:
41220
Protein Details
2. Outer membrane pore protein E
General function:
Involved in transporter activity
Specific function:
Uptake of inorganic phosphate, phosphorylated compounds, and some other negatively charged solutes
Gene Name:
phoE
Uniprot ID:
P02932
Molecular weight:
38922
Protein Details
3. Outer membrane protein F
General function:
Involved in transporter activity
Specific function:
OmpF is a porin that forms passive diffusion pores which allow small molecular weight hydrophilic materials across the outer membrane. It is also a receptor for the bacteriophage T2
Gene Name:
ompF
Uniprot ID:
P02931
Molecular weight:
39333
Protein Details
4. Outer membrane protein C
General function:
Involved in transporter activity
Specific function:
Forms passive diffusion pores which allow small molecular weight hydrophilic materials across the outer membrane
Gene Name:
ompC
Uniprot ID:
P06996
Molecular weight:
40368