| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:27:41 UTC |
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| Update Date | 2016-11-09 01:15:51 UTC |
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| Accession Number | CHEM018694 |
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| Identification |
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| Common Name | Aurothioglucose |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 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 |
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| Chemical Formula | C6H11AuO5S |
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| Average Molecular Mass | 392.180 g/mol |
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| Monoisotopic Mass | 391.999 g/mol |
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| CAS Registry Number | 12192-57-3 |
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| IUPAC Name | gold(1+) ion [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanide |
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| Traditional Name | gold(1+) ion [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanide |
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| SMILES | [Au+].[H][C@@]1(O)[C@@]([H])(O)C([H])([S-])O[C@]([H])(CO)[C@@]1([H])O |
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| 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 |
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| InChI Key | XHVAWZZCDCWGBK-BMZZJELJSA-M |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Hexoses |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004l-0907000000-45132fb208322fc4e8b9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0903000000-556a74e1b5d652f0196b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-08fu-5922000000-c4a6875d12ac6ba1eb56 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0fb9-4901000000-3d7950f781c9d743eb45 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0ab9-9600000000-16327107ddcabc2ee829 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0abc-9200000000-79ef3d325418186d49dd | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 454937 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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