Human Metabolome Database Version 3.5

Showing metabocard for Thiosulfate (HMDB00257)

Record Information
Version 3.5
Creation Date 2005-11-16 08:48:42 -0700
Update Date 2013-05-13 17:07:27 -0600
HMDB ID HMDB00257
Secondary Accession Numbers None
Metabolite Identification
Common Name Thiosulfate
Description Thiosulfate occurs naturally in hot springs and geysers, and is produced by certain biochemical processes. In the body, thiosulfate converts small amounts of cyanide ion into harmless products and plays a role in the biosynthesis of cysteine, a sulfur-containing amino acid that locks proteins into their correct three-dimensional shapes. Thiosulfate is not found in large quantities in nature. Solutions of thiosulfate break down into sulfur, sulfites, and sulfates when exposed to acids, light, metal ions, and bacteria. Thiosulfate is sometimes used as an antidote for cyanide poisoning. It reacts with cyanide to produce sulfite and thiocyanate ions: CN- + S2O32- SCN- + SO32- This reaction is catalyzed by an enzyme produced by cell mitochondria to neutralize small quantities of ingested cyanide (which occurs naturally in cassava root, lima beans, and almonds!). Thiosulfate is an intermediate in several biochemical pathways, including the synthesis of L-cysteine. Thiosulfate is manufactured by some cells by oxidation of elemental sulfur and by degradation of L-cysteine. Use: Photography (fixing agent to dissolve unchanged silver salts from exposed negatives), chrome tanning, removing chlorine in bleaching and papermaking, extraction of silver from its ores, dechlorination of water, mordant, reagent, bleaching, reducing agent in chrome dyeing, sequestrant in salt (up to 0.1%), antidote for cyanide poisoning. (Hawley's Condensed Chemical Dictionary) Source/Synthesis: Synthesis by dehydration of the pentahydrate at 105 degree. Alternatively formed by reaction of S2Cl2 with Na2O2 or by reduction of Na2S2O4 with sodium amalgam Use/Importance: Commercially available Biological Use/Importance: Cyanide antidote often administered with other antidotes, antifungal agent (ChemNetBase) Sodium thiosulfate is a common analytical reagent used in iodometric titration to analyze chlorine, bromine, and sulfide. Other uses are in bleaching paper pulp, bleaching straw, ivory, and bones, for removing chlorine from solutions, silver extraction from its ores, a mordant in dyeing and printing textiles, and as an antidote to cyanide poisoning. Another major application is in photography, where it is used as a fixer to dissolve unchanged silver salts from exposed negatives. (Handbook of Inorganic Chemicals).
Structure Thumb
Download: MOL | SDF | PDB | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. Hyposulfite
  2. S-Hydril
  3. Sodium hyposulfite
  4. Sodium oxide sulfide (Na2S2O3)
  5. Sodium thiosulfate
  6. Sodium thiosulfate (Na2S2O3)
  7. Sodium thiosulfate anhydrous
  8. Sodium thiosulphate
  9. Sodium thiosulphate (Na2S2O3)
  10. Sodium thiosulphate anhydrous
  11. Sulfactol
  12. Thiosulfate
  13. Thiosulfate ion
  14. Thiosulfuric acid
  15. Thiosulfuric acid (H2S2O3)
  16. Thiosulphate
  17. Thiosulphate ion
Chemical Formula O3S2
Average Molecular Weight 112.128
Monoisotopic Molecular Weight 111.928885246
IUPAC Name sulfanidesulfonate
Traditional IUPAC Name thiosulphate
CAS Registry Number 14383-50-7
SMILES [O-]S([S-])(=O)=O
InChI Identifier InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChI Key DHCDFWKWKRSZHF-UHFFFAOYSA-L
Chemical Taxonomy
Kingdom Inorganic Compounds
Super Class Homogeneous Non-metal Compounds
Class Non-metal Oxoanionic Compounds
Sub Class Non-metal Thiosulfates
Other Descriptors
  • inorganic anion(ChEBI)
  • sulfur oxide(ChEBI)
  • sulfur oxoanion(ChEBI)
Substituents
  • N/A
Direct Parent Non-metal Thiosulfates
Ontology
Status Detected and Quantified
Origin
  • Endogenous
Biofunction
  • Osmolyte, enzyme cofactor, signalling
Application Not Available
Cellular locations
  • Extracellular
  • Mitochondria
Physical Properties
State Solid
Experimental Properties
Property Value Reference
Melting Point 48 °C Not Available
Boiling Point Not Available Not Available
Water Solubility 861 mg/mL Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
Water Solubility ALOGPS
LogP -0.096 ChemAxon
pKa (strongest acidic) -2.3 ChemAxon
Hydrogen Acceptor Count 3 ChemAxon
Hydrogen Donor Count 0 ChemAxon
Polar Surface Area 57.2 A2 ChemAxon
Rotatable Bond Count 0 ChemAxon
Refractivity 19.52 ChemAxon
Polarizability 7.69 ChemAxon
Formal Charge -2 ChemAxon
Physiological Charge -1 ChemAxon
Spectra
MS/MS Spectrum Quattro_QQQ 10
MS/MS Spectrum Quattro_QQQ 25
MS/MS Spectrum Quattro_QQQ 40
Biological Properties
Cellular Locations
  • Extracellular
  • Mitochondria
Biofluid Locations
  • Bile
  • Blood
  • Urine
Tissue Location
  • Stratum Corneum
Pathways Not Available
Normal Concentrations
Biofluid Status Value Age Sex Condition Reference
Bile Detected and Quantified
1215 +/- 261 uM Adult (>18 years old) Not Specified Normal
Blood Detected and Quantified
100.8 +/- 9.811 uM Adult (>18 years old) Both Normal
Blood Detected and Quantified
1.5 (0.0-3.0) uM Adult (>18 years old) Both Normal
Urine Detected and Quantified
2.09 +/- 0.84 umol/mmol creatinine Adult (>18 years old) Both Normal
  • Geigy Scient...
Urine Detected and Quantified
1.646 +/- 0.118 umol/mmol creatinine Adult (>18 years old) Both Normal
Abnormal Concentrations
Biofluid Status Value Age Sex Condition Reference
Blood Detected and Quantified 150.0 (110.0-230.0) uM Adult (>18 years old) Both Hydrogen sulfide fatal poisoning
Associated Disorders and Diseases
Disease References
Hydrogen sulfide poisoning
  • Kage S, Ikeda H, Ikeda N, Tsujita A, Kudo K: Fatal hydrogen sulfide poisoning at a dye works. Leg Med (Tokyo). 2004 Jul;6(3):182-6. Pubmed: 15231289 Link_out
      Associated OMIM IDs None
      DrugBank ID Not Available
      DrugBank Metabolite ID Not Available
      Phenol Explorer Compound ID Not Available
      Phenol Explorer Metabolite ID Not Available
      FoodDB ID FDB021921
      KNApSAcK ID Not Available
      Chemspider ID 1054 Link_out
      KEGG Compound ID C00320 Link_out
      BioCyc ID S2O3 Link_out
      BiGG ID 34610 Link_out
      Wikipedia Link Thiosulfate Link_out
      NuGOwiki Link HMDB00257 Link_out
      Metagene Link HMDB00257 Link_out
      METLIN ID 5260 Link_out
      PubChem Compound 1084 Link_out
      PDB ID THJ Link_out
      ChEBI ID 16094 Link_out
      References
      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.
      Material Safety Data Sheet (MSDS) Download (PDF)
      General References
      1. Chatterjee BD, De PK, Sen T: Sucrose teepol tellurite agar: a new selective indicator medium for isolation of Vibrio species. J Infect Dis. 1977 Apr;135(4):654-8. Pubmed: 856920 Link_out
      2. Rikimaru T, Kondo M, Kajimura K, Hashimoto K, Oyamada K, Sagawa K, Tanoue S, Oizumi K: Bactericidal activities of commonly used antiseptics against multidrug-resistant mycobacterium tuberculosis. Dermatology. 2002;204 Suppl 1:15-20. Pubmed: 12011515 Link_out
      3. Maddocks JL, MacLachlan J: Application of new fluorescent thiol reagent to diagnosis of homocystinuria. Lancet. 1991 Oct 26;338(8774):1043-4. Pubmed: 1681358 Link_out
      4. Ivankovich AD, Braverman B, Stephens TS, Shulman M, Heyman HJ: Sodium thiosulfate disposition in humans: relation to sodium nitroprusside toxicity. Anesthesiology. 1983 Jan;58(1):11-7. Pubmed: 6600205 Link_out
      5. Kage S, Nagata T, Kudo K: Determination of thiosulfate in body fluids by GC and GC/MS. J Anal Toxicol. 1991 May-Jun;15(3):148-50. Pubmed: 1943059 Link_out
      6. Rikimaru T, Kondo M, Kondo S, Oizumi K: Bactericidal activities of povidone-iodine against Mycobacterium. Dermatology. 1997;195 Suppl 2:104-6. Pubmed: 9403266 Link_out
      7. Zewert TE, Pliquett UF, Vanbever R, Langer R, Weaver JC: Creation of transdermal pathways for macromolecule transport by skin electroporation and a low toxicity, pathway-enlarging molecule. Bioelectrochem Bioenerg. 1999 Oct;49(1):11-20. Pubmed: 10619443 Link_out
      8. Freyberg RH, Block WD, Levey S: METABOLISM, TOXICITY AND MANNER OF ACTION OF GOLD COMPOUNDS USED IN THE TREATMENT OF ARTHRITIS. I. HUMAN PLASMA AND SYNOVIAL FLUID CONCENTRATION AND URINARY EXCRETION OF GOLD DURING AND FOLLOWING TREATMENT WITH GOLD SODIUM THIOMALATE, GOLD SODIUM THIOSULFATE, AND COLLOIDAL GOLD SULFIDE. J Clin Invest. 1941 Jul;20(4):401-12. Pubmed: 16694848 Link_out
      9. Westerlund J, Pudek M, Schreiber WE: A rapid and accurate spectrofluorometric method for quantification and screening of urinary porphyrins. Clin Chem. 1988 Feb;34(2):345-51. Pubmed: 3342508 Link_out
      10. Willis CL, Cummings JH, Neale G, Gibson GR: Nutritional aspects of dissimilatory sulfate reduction in the human large intestine. Curr Microbiol. 1997 Nov;35(5):294-8. Pubmed: 9462959 Link_out
      11. Yatzidis H: Gestational urinary hyperthiosulfaturia protects hypercalciuric normal pregnant women from nephrolithiasis. Int Urol Nephrol. 2004;36(3):445-9. Pubmed: 15783122 Link_out
      12. Rennels MB, Levine MM, Daya V, Angle P, Young C: Selective vs. nonselective media and direct plating vs. enrichment technique in isolation of Vibrio cholerae: recommendations for clinical laboratories. J Infect Dis. 1980 Sep;142(3):328-31. Pubmed: 7003031 Link_out

      Enzymes
      Name: 3-mercaptopyruvate sulfurtransferase
      Reactions:
      Thiosulfate + Hydrogen cyanide unknown Sulfurous acid + Thiocyanate details
      3-Mercaptopyruvic acid + Sulfurous acid unknown Thiosulfate + Pyruvic acid details
      Gene Name: MPST
      Uniprot ID: P25325 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA
      Name: Uridine 5'-monophosphate synthase
      Reactions: Not Available
      Gene Name: UMPS
      Uniprot ID: P11172 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA
      Name: Thiosulfate sulfurtransferase
      Reactions:
      Thiosulfate + Hydrogen cyanide unknown Sulfurous acid + Thiocyanate details
      3-Mercaptopyruvic acid + Sulfurous acid unknown Thiosulfate + Pyruvic acid details
      Gene Name: TST
      Uniprot ID: Q16762 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA
      Name: Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1
      Reactions: Not Available
      Gene Name: TSTD1
      Uniprot ID: Q8NFU3 Link_out
      Protein Sequence: FASTA
      Gene Sequence: FASTA