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Thiosulfate (YMDB00303)

Identification
YMDB IDYMDB00303
NameThiosulfate
SpeciesSaccharomyces cerevisiae
StrainBaker's yeast
DescriptionThiosulfate, also known as thiosulfuric acid or [so2(OH)(SH)], belongs to the class of inorganic compounds known as non-metal thiosulfates. These are inorganic non-metallic compounds containing a thiosulfate as its largest oxoanion. Thiosulfate is an extremely strong acidic compound (based on its pKa). Thiosulfate exists in all living species, ranging from bacteria to humans.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
  • Hyposulfite
  • S-hydril
  • Sodium hyposulfite
  • Sodium thiosulfate
  • Sodium thiosulfate anhydrous
  • Sulfactol
  • Thiosulfate
  • Thiosulfate ion
  • Thiosulfic acid
  • thiosulfuric acid
  • Thiosulphate
  • [SO2(OH)(SH)]
  • H2S2O3
  • Thiosulphuric acid
  • Hydroxidodioxidosulfidosulfuric acid
  • Hydroxidodioxidosulphidosulphate
  • Hydroxidodioxidosulphidosulphuric acid
CAS number14383-50-7
WeightAverage: 112.128
Monoisotopic: 111.928885246
InChI KeyDHCDFWKWKRSZHF-UHFFFAOYSA-L
InChIInChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
IUPAC Namesulfanesulfonic acid
Traditional IUPAC Namesulfurothioic S-acid
Chemical FormulaO3S2
SMILES[O-]S([O-])(=O)=S
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal thiosulfates. These are inorganic non-metallic compounds containing a thiosulfate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal thiosulfates
Direct ParentNon-metal thiosulfates
Alternative Parents
Substituents
  • Non-metal thiosulfate
  • Inorganic oxide
  • Inorganic sulfide
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateSolid
Charge0
Melting point48 °C
Experimental Properties
PropertyValueReference
Water Solubility861 mg/mL [HMP experimental]PhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
logP-0.096ChemAxon
pKa (Strongest Acidic)-2.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area54.37 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity17.76 m³·mol⁻¹ChemAxon
Polarizability8.29 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic PropertiesNot Available
SMPDB Pathways
Sulfur metabolismPW002483 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways
Cysteine and methionine metabolismec00270 Map00270
Sulfur metabolismec00920 Map00920
SMPDB Reactions
Cyanide + Thiosulfate → Thiocyanate + Sulfite + hydron
Thiosulfate → Sulfate
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-2900000000-0340aa179a944cddc03fJSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableJSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableJSpectraViewer
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-00di-9200000000-8d6f9db7b85e719b5336JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-05fr-9000000000-5140dc89fca222f5cb69JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-0ab9-9000000000-2876b0d2bddab26086e9JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-2900000000-cfd5e2fee5605aa6f365JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-1900000000-14f35b6955762fa5ef9cJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01pk-9300000000-6d71fc2acfdc5c953636JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-4fefeb50f8b5131bb095JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-1900000000-25562aa85ac0e34c2f5bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-1900000000-c55a98b5b4d32b24a3cdJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01ot-9600000000-91b94305c2dea2ac1a55JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01ot-9700000000-2a1ba4afd4c6e16c135fJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-788341845848b1bd60e2JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-8713d6562312e043b633JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0900000000-8713d6562312e043b633JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0900000000-8713d6562312e043b633JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
References
References:
  • UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
  • Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
Synthesis Reference:Serikova, E. A.; Racheva, I. V. Method for producing sodium thiosulfate. U.S.S.R. (1986), CODEN: URXXAF SU 1279954 A1 19861230 Patent written in Russian.
External Links:
ResourceLink
CHEBI ID16094
HMDB IDHMDB00257
Pubchem Compound ID439208
Kegg IDC00320
ChemSpider ID1054
FOODB IDFDB034578
WikipediaThiosulfate
BioCyc IDS2O3

Enzymes

Protein Details
1. Putative thiosulfate sulfurtransferase
General function:
Involved in thiosulfate sulfurtransferase activity
Specific function:
Thiosulfate + cyanide = sulfite + thiocyanate
Gene Name:
Not Available
Uniprot ID:
Q08686
Molecular weight:
34218.60156
Reactions
Thiosulfate + cyanide → sulfite + thiocyanate.
Protein Details
2. Putative thiosulfate sulfurtransferase FMP31, mitochondrial
General function:
Inorganic ion transport and metabolism
Specific function:
Thiosulfate + cyanide = sulfite + thiocyanate
Gene Name:
FMP31
Uniprot ID:
Q08742
Molecular weight:
16697.19922
Reactions
Thiosulfate + cyanide → sulfite + thiocyanate.
Protein Details
3. Putative thiosulfate sulfurtransferase YOR285W
General function:
Inorganic ion transport and metabolism
Specific function:
Thiosulfate + cyanide = sulfite + thiocyanate
Gene Name:
Not Available
Uniprot ID:
Q12305
Molecular weight:
15413.2002
Reactions
Thiosulfate + cyanide → sulfite + thiocyanate.
Protein Details
4. Cytochrome c iso-1
General function:
Involved in iron ion binding
Specific function:
Electron carrier protein. The oxidized form of the cytochrome c heme group can accept an electron from the heme group of the cytochrome c1 subunit of cytochrome reductase. Cytochrome c then transfers this electron to the cytochrome oxidase complex, the final protein carrier in the mitochondrial electron-transport chain
Gene Name:
CYC1
Uniprot ID:
P00044
Molecular weight:
12181.90039
Reactions
Protein Details
5. Cytochrome c iso-2
General function:
Involved in iron ion binding
Specific function:
Electron carrier protein. The oxidized form of the cytochrome c heme group can accept an electron from the heme group of the cytochrome c1 subunit of cytochrome reductase. Cytochrome c then transfers this electron to the cytochrome oxidase complex, the final protein carrier in the mitochondrial electron-transport chain
Gene Name:
CYC7
Uniprot ID:
P00045
Molecular weight:
12532.2998
Reactions