Aurothioglucose (CED0008776)

Record Information

Version

1.0

Creation Date

2016-05-22 05:27:41 UTC

Update Date

2026-05-14 19:02:41 UTC

SynCED ID

CED0008776

Secondary Accession Numbers

CHEM018694

Identification

Common Name

Aurothioglucose

Class

Small Molecule

Description

Aurothioglucose is an organic compound with the formula C6H11AuO5S and an average molecular weight of 392.18 g/mol. Aurothioglucose belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This compound is found in or released from two recorded sources: antennas in electrical and electronic equipment, and antiinflammatory and antirheumatic products within healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure is intramuscular. In terms of biological activity, aurothioglucose interacts with three recorded protein targets: adenylate cyclase type 1 (ADCY1), adenylate cyclase type 2 (ADCY2), and adenylate cyclase type 5 (ADCY5).

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Gold(1+) ion [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanide	Generator
Aureotan	MeSH
Aurothioglucose nourypharma brand	MeSH
Oleosum, solganal b	MeSH
Auromyose	MeSH
Aurothioglucose tosse brand	MeSH
Gold thioglucose	MeSH
Gold50	MeSH
Thioglucosoaurate	MeSH
beta-D Isomer aurothioglucose	MeSH
Aurothioglucose schering-plough brand	MeSH
b Oleosum, solganal	MeSH
Schering plough brand OF aurothioglucose	MeSH
Schering-plough brand OF aurothioglucose	MeSH
Aurothioglucose	MeSH
Solganal	MeSH
Solganal b oleosum	MeSH
Thioglucose, gold	MeSH
Tosse brand OF aurothioglucose	MeSH
Aurothioglucose, beta-D isomer	MeSH
Gold 50	MeSH
Gold-50	MeSH
Nourypharma brand OF aurothioglucose	MeSH
Solganol	MeSH
Schering brand OF aurothioglucose	MeSH
Aurothioglucose schering brand	MeSH
Aurothioglucose, sodium salt, beta-D isomer	MeSH
Aurothioglucose, beta D isomer	MeSH

Chemical Formula

C₆H₁₁AuO₅S

Average Molecular Mass

392.180 g/mol

Monoisotopic Mass

391.999 g/mol

CAS Registry Number

12192-57-3

IUPAC Name

gold(1+) ion [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanide

Traditional Name

gold(1+) ion [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanide

SMILES

[Au+].[H][C@@]1(O)[C@@]([H])(O)C([H])([S-])O[C@]([H])(CO)[C@@]1([H])O

InChI Identifier

InChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2-,3-,4+,5-,6?;/m1./s1

InChI Key

XHVAWZZCDCWGBK-BMZZJELJSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose monosaccharide
Oxane
Secondary alcohol
Oxacycle
Organic transition metal salt
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic salt
Organic zwitterion
Primary alcohol
Organosulfur compound
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	96.4 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-2	ChemAxon
logS	-0.61	ALOGPS
pKa (Strongest Acidic)	8.64	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	90.15 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	42.89 m³·mol⁻¹	ChemAxon
Polarizability	18.21 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004l-0907000000-45132fb208322fc4e8b9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0903000000-556a74e1b5d652f0196b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-08fu-5922000000-c4a6875d12ac6ba1eb56	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fb9-4901000000-3d7950f781c9d743eb45	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ab9-9600000000-16327107ddcabc2ee829	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0abc-9200000000-79ef3d325418186d49dd	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
5445.0 Log mg/kg [3100:9700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
arthritis	Not Available	Not Available	A disorder characterized by inflammation involving a joint. (NCI CTCAE)	PMC10813065

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000363	Antiinflammatory and antirheumatic products?Anti-inflammatory and antirheumatic products are synthetic chemicals commonly used to alleviate pain, reduce inflammation, and manage conditions such as arthritis.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Lectin	B4EH87	Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))	Predicted (SEA)	Prediction Confidence Score 0.448 Applicability Domain 0.583 Statistical Significance 2.00e-05 Supporting Reference Compounds 3 E-value 0.155698
Click to view 3D structure	Type 1 fimbrin D-mannose specific adhesin	P08191	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.421 Applicability Domain 0.583 Statistical Significance 6.00e-05 Supporting Reference Compounds 4 E-value 0.467095
Click to view 3D structure	Oligo-1,6-glucosidase IMA1	P53051	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.304 Statistical Significance 5.40e-04 Supporting Reference Compounds 1 E-value 4.20386
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.368 Statistical Significance 4.50e-04 Supporting Reference Compounds 21 E-value 3.50322
Click to view 3D structure	Cytidine deaminase	P56389	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.325 Statistical Significance 9.80e-04 Supporting Reference Compounds 5 E-value 7.62922
Click to view 3D structure	Cytidine deaminase	P32320	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.31 Statistical Significance 7.20e-04 Supporting Reference Compounds 4 E-value 5.60514
Click to view 3D structure	PA-I galactophilic lectin	Q05097	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.467 Statistical Significance 1.80e-04 Supporting Reference Compounds 4 E-value 1.40129
Click to view 3D structure	Neutral alpha-glucosidase C	Q8TET4	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 1.70e-04 Supporting Reference Compounds 1 E-value 1.32344
Click to view 3D structure	Alpha-galactosidase A	D3ZJF9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 1.70e-04 Supporting Reference Compounds 1 E-value 1.32344
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.318 Statistical Significance 0.0467 Supporting Reference Compounds 332 E-value 363.634
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.318 Statistical Significance 0.0424 Supporting Reference Compounds 242 E-value 330.314
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.318 Statistical Significance 0.0767 Supporting Reference Compounds 407 E-value 597.259
Click to view 3D structure	Solute carrier family 28 member 3	Q9HAS3	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.302 Statistical Significance 0.0026 Supporting Reference Compounds 3 E-value 19.9294
Click to view 3D structure	Adenosine deaminase	P56658	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.283 Low confidence Statistical Significance 0.0036 Supporting Reference Compounds 17 E-value 27.9479
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.318 Statistical Significance 0.082 Supporting Reference Compounds 372 E-value 638.597
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.286 Low confidence Statistical Significance 8.00e-04 Supporting Reference Compounds 30 E-value 6.22794
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.289 Low confidence Statistical Significance 0.0511 Supporting Reference Compounds 302 E-value 398.199
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.277 Low confidence Statistical Significance 0.0377 Supporting Reference Compounds 221 E-value 293.336
Click to view 3D structure	Trehalase	O43280	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.261 Low confidence Statistical Significance 4.00e-05 Supporting Reference Compounds 1 E-value 0.311397
Click to view 3D structure	Adenosine kinase	A5U4N0	Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.26 Low confidence Statistical Significance 0.004 Supporting Reference Compounds 1 E-value 30.984
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.277 Low confidence Statistical Significance 0.0901 Supporting Reference Compounds 391 E-value 701.577
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.277 Low confidence Statistical Significance 0.0376 Supporting Reference Compounds 174 E-value 292.557
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.368 Statistical Significance 7.90e-04 Supporting Reference Compounds 25 E-value 6.15009
Click to view 3D structure	Adenosine kinase	P55263	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.271 Low confidence Statistical Significance 0.0084 Supporting Reference Compounds 22 E-value 65.4712
Click to view 3D structure	Killer cell lectin-like receptor subfamily B member 1A	P27471	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.265 Low confidence Statistical Significance 3.30e-04 Supporting Reference Compounds 2 E-value 2.56902