| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-25 18:29:09 UTC |
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| Update Date | 2016-11-09 01:17:28 UTC |
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| Accession Number | CHEM022347 |
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| Identification |
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| Common Name | Sodium stibogluconate |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - HMDB Contaminants - Urine
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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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| -antimony(4+) ion antimony(3+) ion trisodium bis((2R,3S,4S,5R)-5,6-dihydroxy-2,3,4-trioxidohexanoic acid) decahydric acid dihydroxide | Generator | | Λ⁵-antimony(4+) ion antimony(3+) ion trisodium bis((2R,3S,4S,5R)-5,6-dihydroxy-2,3,4-trioxidohexanoic acid) decahydric acid dihydroxide | Generator |
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| Chemical Formula | C12H39Na3O26Sb2 |
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| Average Molecular Mass | 911.907 g/mol |
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| Monoisotopic Mass | 909.950 g/mol |
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| CAS Registry Number | 16037-91-5 |
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| IUPAC Name | lambda5-antimony(4+) ion antimony(3+) ion trisodium bis((2R,3S,4S,5R)-5,6-dihydroxy-2,3,4-trioxidohexanoate) decahydrate dihydroxide |
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| Traditional Name | lambda5-antimony(4+) ion antimony(3+) ion trisodium bis((2R,3S,4S,5R)-5,6-dihydroxy-2,3,4-trioxidohexanoate) decahydrate dihydroxide |
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| SMILES | O.O.O.O.O.O.O.O.O.O.[OH-].[OH-].[Na+].[Na+].[Na+].[Sb+3].[SbH+4].[H][C@@](O)(CO)[C@@]([H])([O-])[C@]([H])([O-])[C@@]([H])([O-])C([O-])=O.[H][C@@](O)(CO)[C@@]([H])([O-])[C@]([H])([O-])[C@@]([H])([O-])C([O-])=O |
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| InChI Identifier | InChI=1S/2C6H9O7.3Na.12H2O.2Sb.H/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;;/h2*2-5,7-8H,1H2,(H,12,13);;;;12*1H2;;;/q2*-3;3*+1;;;;;;;;;;;;;+3;+4;/p-4/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;;/m11................../s1 |
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| InChI Key | PPYDIYOAUZOMCY-KXOPFSNDSA-J |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. |
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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 | Sugar acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Gluconic_acid
- Medium-chain hydroxy acid
- Medium-chain fatty acid
- Hydroxy fatty acid
- Fatty acyl
- Fatty acid
- Monosaccharide
- Organic antimony salt
- Carboxylic acid salt
- Secondary alcohol
- Organic metalloid salt
- Carboxylic acid derivative
- Carboxylic acid
- Organic alkali metal salt
- Monocarboxylic acid or derivatives
- Organic sodium salt
- Organic hydroxide
- Primary alcohol
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Alkoxide
- Organic zwitterion
- Organic salt
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Not Available |
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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 | Not Available |
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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 | HMDB0015617 |
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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 | Not Available |
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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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