MiMeDB: Showing metabocard for Thiosulfate (MMDBc0000088)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:29:56 UTC

Update Date

2024-10-13 09:26:16 UTC

Metabolite ID

MMDBc0000088

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

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

Synonyms

Value	Source
[SO2(OH)(SH)]	ChEBI
H2S2O3	ChEBI
Thiosulfuric acid	ChEBI
Thiosulphate	Generator
Thiosulphuric acid	Generator
Hydroxidodioxidosulfidosulfuric acid	HMDB
Hydroxidodioxidosulphidosulphate	HMDB
Hydroxidodioxidosulphidosulphuric acid	HMDB
Thiosulfate	Generator

Molecular Formula

H₂O₃S₂

Average Mass

114.144

Monoisotopic Mass

113.94453531

IUPAC Name

sulfanesulfonic acid

Traditional Name

sulfurothioic S-acid

CAS Registry Number

14383-50-7

SMILES

OS(S)(=O)=O

InChI Identifier

InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)

InChI Key

DHCDFWKWKRSZHF-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Physical Properties

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-2900000000-0340aa179a944cddc03f	2017-09-20	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-00di-9200000000-8d6f9db7b85e719b5336	2018-05-17	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-05fr-9000000000-5140dc89fca222f5cb69	2018-05-17	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-0ab9-9000000000-2876b0d2bddab26086e9	2018-05-17	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-2900000000-cfd5e2fee5605aa6f365	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-1900000000-14f35b6955762fa5ef9c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-01pk-9300000000-6d71fc2acfdc5c953636	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0900000000-4fefeb50f8b5131bb095	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-1900000000-25562aa85ac0e34c2f5b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-1900000000-c55a98b5b4d32b24a3cd	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01ot-9600000000-91b94305c2dea2ac1a55	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01ot-9700000000-2a1ba4afd4c6e16c135f	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-788341845848b1bd60e2	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0900000000-8713d6562312e043b633	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-0900000000-8713d6562312e043b633	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-0900000000-8713d6562312e043b633	2021-09-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum

Biological Properties

Human Proteins and Enzymes

Human Pathways

Metabolic Reactions

Health Effects and Bioactivity

Microbial Sources

Exposure Sources

Host Biospecimen and Location

External Links

References

General References

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. doi: 10.1093/infdis/135.4.654. [PubMed:856920 ]
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. doi: 10.1159/000057719. [PubMed:12011515 ]
Maddocks JL, MacLachlan J: Application of new fluorescent thiol reagent to diagnosis of homocystinuria. Lancet. 1991 Oct 26;338(8774):1043-4. doi: 10.1016/0140-6736(91)91903-8. [PubMed:1681358 ]
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. doi: 10.1097/00000542-198301000-00003. [PubMed:6600205 ]
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. doi: 10.1093/jat/15.3.148. [PubMed:1943059 ]
Rikimaru T, Kondo M, Kondo S, Oizumi K: Bactericidal activities of povidone-iodine against Mycobacterium. Dermatology. 1997;195 Suppl 2:104-6. doi: 10.1159/000246041. [PubMed:9403266 ]
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. doi: 10.1016/s0302-4598(99)00056-2. [PubMed:10619443 ]
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. doi: 10.1172/JCI101235. [PubMed:16694848 ]
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 ]
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. doi: 10.1007/s002849900257. [PubMed:9462959 ]
Yatzidis H: Gestational urinary hyperthiosulfaturia protects hypercalciuric normal pregnant women from nephrolithiasis. Int Urol Nephrol. 2004;36(3):445-9. doi: 10.1007/s11255-004-8784-0. [PubMed:15783122 ]
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. doi: 10.1093/infdis/142.3.328. [PubMed:7003031 ]

Showing metabocard for Thiosulfate (MMDBc0000088)

MOL for #<Metabolite:0x00007f53b9418660>

3D MOL for #<Metabolite:0x00007f53b9418660>

3D SDF for #<Metabolite:0x00007f53b9418660>

3D-SDF for #<Metabolite:0x00007f53b9418660>

PDB for #<Metabolite:0x00007f53b9418660>

3D PDB for #<Metabolite:0x00007f53b9418660>

SMILES for #<Metabolite:0x00007f53b9418660>

INCHI for #<Metabolite:0x00007f53b9418660>

Structure for #<Metabolite:0x00007f53b9418660>

3D Structure for #<Metabolite:0x00007f53b9418660>