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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:14:40 UTC
HMDB IDHMDB0000257
Secondary Accession Numbers
  • HMDB00257
Metabolite Identification
Common NameThiosulfate
Description
Structure
Thumb
Synonyms
ValueSource
[SO2(OH)(SH)]ChEBI
H2S2O3ChEBI
Thiosulfuric acidChEBI
ThiosulphateGenerator
Thiosulphuric acidGenerator
Hydroxidodioxidosulfidosulfuric acidHMDB
HydroxidodioxidosulphidosulphateHMDB
Hydroxidodioxidosulphidosulphuric acidHMDB
ThiosulfateGenerator
Chemical FormulaH2O3S2
Average Molecular Weight114.144
Monoisotopic Molecular Weight113.94453531
IUPAC Namesulfanesulfonic acid
Traditional Namesulfurothioic S-acid
CAS Registry Number14383-50-7
SMILES
OS(S)(=O)=O
InChI Identifier
InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)
InChI KeyDHCDFWKWKRSZHF-UHFFFAOYSA-N
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
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point48 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility861 mg/mLNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular 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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Extracellular
  • Mitochondria
Biospecimen Locations
  • Bile
  • Blood
  • Urine
Tissue Locations
  • Epidermis
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BileDetected and Quantified1215 +/- 261 uMAdult (>18 years old)Not SpecifiedNormal details
BloodDetected and Quantified100.8 +/- 9.811 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified1.5 (0.0-3.0) uMAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.470-3.820 umol/mmol creatinineNot SpecifiedBothNormal details
UrineDetected and Quantified2.09 +/- 0.84 umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
UrineDetected and Quantified1.646 +/- 0.118 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified150.0 (110.0-230.0) uMAdult (>18 years old)BothHydrogen sulfide fatal poisoning details
UrineDetected and Quantified2.6 umol/mmol creatinineAdult (>18 years old)FemaleBeta-mercaptolactate-cysteine Disulfiduria details
UrineDetected and Quantified53 umol/mmol creatinineNewborn (0-30 days old)Not Specified
Molybdenum cofactor deficiency
details
UrineDetected and Quantified263 umol/mmol creatinineChildren (1-13 years old)Not Specified
Molybdenum cofactor deficiency
details
Associated Disorders and Diseases
Disease References
Hydrogen sulfide poisoning
  1. 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 ]
Molybdenum cofactor deficiency
  1. van Gennip AH, Abeling NG, Stroomer AE, Overmars H, Bakker HD: The detection of molybdenum cofactor deficiency: clinical symptomatology and urinary metabolite profile. J Inherit Metab Dis. 1994;17(1):142-5. [PubMed:8051926 ]
Beta-mercaptolactate-cysteine Disulfiduria
  1. Hannestad U, Martensson J, Sjodahl R, Sorbo B: 3-mercaptolactate cysteine disulfiduria: biochemical studies on affected and unaffected members of a family. Biochem Med. 1981 Aug;26(1):106-14. [PubMed:6945862 ]
Associated OMIM IDs
  • 249650 (Beta-mercaptolactate-cysteine Disulfiduria)
DrugBank IDDB09499
Phenol Explorer Compound IDNot Available
FooDB IDFDB034578
KNApSAcK IDNot Available
Chemspider ID22886
KEGG Compound IDC05529
BioCyc IDS2O3
BiGG IDNot Available
Wikipedia LinkThiosulfate
METLIN IDNot Available
PubChem Compound1085
PDB IDNot Available
ChEBI ID5587
Food Biomarker OntologyNot Available
VMH IDHC01501
MarkerDB IDMDB00000125
Good Scents IDNot Available
References
Synthesis ReferenceSerikova, 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)Not Available
General References

Enzymes

General function:
Involved in thiosulfate sulfurtransferase activity
Specific function:
Transfer of a sulfur ion to cyanide or to other thiol compounds. Also has weak rhodanese activity. May have a role in cyanide degradation or in thiosulfate biosynthesis.
Gene Name:
MPST
Uniprot ID:
P25325
Molecular weight:
33178.15
Reactions
Thiosulfate + Hydrogen cyanide → Sulfite + Thiocyanatedetails
3-Mercaptopyruvic acid + Sulfite → Thiosulfate + Pyruvic aciddetails
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
UMPS
Uniprot ID:
P11172
Molecular weight:
52221.075
General function:
Involved in thiosulfate sulfurtransferase activity
Specific function:
Formation of iron-sulfur complexes, cyanide detoxification or modification of sulfur-containing enzymes. Other thiol compounds, besides cyanide, can act as sulfur ion acceptors. Also has weak mercaptopyruvate sulfurtransferase (MST) activity (By similarity). Together with MRPL18, acts as a mitochondrial import factor for the cytosolic 5S rRNA. Only the nascent unfolded cytoplasmic form is able to bind to the 5S rRNA.
Gene Name:
TST
Uniprot ID:
Q16762
Molecular weight:
33428.69
Reactions
Thiosulfate + Hydrogen cyanide → Sulfite + Thiocyanatedetails
3-Mercaptopyruvic acid + Sulfite → Thiosulfate + Pyruvic aciddetails
General function:
Inorganic ion transport and metabolism
Specific function:
Possible role in tumorgenesis
Gene Name:
TSTD1
Uniprot ID:
Q8NFU3
Molecular weight:
12530.1