| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-05-25 18:21:17 UTC |
|---|
| Update Date | 2016-11-09 01:17:26 UTC |
|---|
| Accession Number | CHEM022137 |
|---|
| Identification |
|---|
| Common Name | Succimer |
|---|
| Class | Small Molecule |
|---|
| Description | Succimer is only found in individuals that have used or taken this drug. It is a mercaptodicarboxylic acid used as an antidote to heavy metal poisoning because it forms strong chelates with them. [PubChem]Succimer is a heavy metal chelator. It binds with high specificity to ions of lead in the blood to form a water-soluble complex that is subsequently excreted by the kidneys. Succimer can also chelate mercury, cadmium, and arsenic in this manner. |
|---|
| Contaminant Sources | - HMDB Contaminants - Urine
|
|---|
| Contaminant Type | Not Available |
|---|
| Chemical Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| Meso-2,3-dimercaptosuccinic acid | Kegg | | Meso-dimercaptosuccinic acid | Kegg | | Chemet | Kegg | | Meso-2,3-dimercaptosuccinate | Generator | | Meso-dimercaptosuccinate | Generator | | Dimercaptosuccinic acid | HMDB | | DMSA | HMDB | | Succicaptal | HMDB | | Succimer antimony sodium salt, (r*,s*)-isomer | HMDB | | Succimer, dipotassium salt | HMDB | | Succimer, tin salt | HMDB | | Butanedioic acid, 2,3-dimercapto-, (r*,s*)-isomer | HMDB | | Dimercaptosuccinate, tin | HMDB | | Monosodium salt succimer | HMDB | | SERB brand OF succimer | HMDB | | Succimer, (r*,r*)-(+,-)-isomer | HMDB | | Succimer, rhenium salt | HMDB | | 2,3 Dimercaptosuccinic acid | HMDB | | Acid, dimercaptosuccinic | HMDB | | Disodium salt succimer | HMDB | | Sanofi brand OF succimer | HMDB | | Succimer, disodium salt | HMDB | | Succimer, monosodium salt | HMDB | | Meso dimercaptosuccinic acid | HMDB | | Acid, 2,3-dimercaptosuccinic | HMDB | | Acid, meso-dimercaptosuccinic | HMDB | | Dipotassium salt succimer | HMDB | | Rhenium salt succimer | HMDB | | Tin dimercaptosuccinate | HMDB | | Tin salt succimer | HMDB | | 2,3-Dimercaptosuccinic acid | HMDB | | 2,3-Disulfanylbutanedioate | HMDB | | 2,3-Disulphanylbutanedioate | HMDB | | 2,3-Disulphanylbutanedioic acid | HMDB | | 2,3-Dimercaptosuccinate | HMDB | | Succimer | MeSH |
|
|---|
| Chemical Formula | C4H6O4S2 |
|---|
| Average Molecular Mass | 182.218 g/mol |
|---|
| Monoisotopic Mass | 181.971 g/mol |
|---|
| CAS Registry Number | 304-55-2 |
|---|
| IUPAC Name | 2,3-disulfanylbutanedioic acid |
|---|
| Traditional Name | chemet |
|---|
| SMILES | OC(=O)C(S)C(S)C(O)=O |
|---|
| InChI Identifier | InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8) |
|---|
| InChI Key | ACTRVOBWPAIOHC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Fatty Acyls |
|---|
| Sub Class | Fatty acids and conjugates |
|---|
| Direct Parent | Thia fatty acids |
|---|
| Alternative Parents | |
|---|
| Substituents | - Thia fatty acid
- Dicarboxylic acid or derivatives
- 2-mercaptocarboxylic acid
- Carboxylic acid
- Carboxylic acid derivative
- Alkylthiol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organosulfur compound
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic 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 |
|---|
| Pathways | Not Available |
|---|
| Applications | Not Available |
|---|
| Biological Roles | Not Available |
|---|
| Chemical Roles | 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 | |
|---|
| Spectra |
|---|
| Spectra | | Spectrum Type | Description | Splash Key | View |
|---|
| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-000l-5900000000-e15344a40a9ac2221bd8 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-00di-9320000000-df47fab54490ee9afaa1 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-1900000000-29e9b3fe0d0d3dba51f0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9700000000-5439a7caf4a5d9c0ac3d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9200000000-ea834544048b7e46a6ea | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0900000000-ddf81444b0b42dcfc528 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udu-3900000000-f4170a0256f14ff8e387 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-000f-9100000000-7492fbfa1809fea34350 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0f7k-0900000000-5b9e0e2630c5fbb718e3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-5443c1cfbe961044dea7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0016-9300000000-400237dd1846f63962b6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03e9-1900000000-3893e9f139082816a7e8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0076-8900000000-5213d3c5f1f00fdc190c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-006t-9000000000-c8e09cc90fc047955f9d | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum |
|
|---|
| Toxicity Profile |
|---|
| Route of Exposure | Not Available |
|---|
| Mechanism of Toxicity | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Toxicity Values | Not Available |
|---|
| Lethal Dose | Not Available |
|---|
| Carcinogenicity (IARC Classification) | Not Available |
|---|
| Uses/Sources | Not Available |
|---|
| Minimum Risk Level | Not Available |
|---|
| Health Effects | Not Available |
|---|
| Symptoms | Not Available |
|---|
| Treatment | Not Available |
|---|
| Concentrations |
|---|
| Not Available |
|---|
| External Links |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | HMDB0014706 |
|---|
| FooDB ID | Not Available |
|---|
| Phenol Explorer ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| BioCyc ID | Not Available |
|---|
| METLIN ID | Not Available |
|---|
| PDB ID | Not Available |
|---|
| Wikipedia Link | Dimercaptosuccinic acid |
|---|
| Chemspider ID | 8988 |
|---|
| ChEBI ID | 140459 |
|---|
| PubChem Compound ID | 9354 |
|---|
| Kegg Compound ID | C07598 |
|---|
| YMDB ID | Not Available |
|---|
| ECMDB ID | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| MSDS | Not Available |
|---|
| General References | | 1. Mann KV, Travers JD: Succimer, an oral lead chelator. Clin Pharm. 1991 Dec;10(12):914-22. | | 2. Aaseth J, Jacobsen D, Andersen O, Wickstrom E: Treatment of mercury and lead poisonings with dimercaptosuccinic acid and sodium dimercaptopropanesulfonate. A review. Analyst. 1995 Mar;120(3):853-4. | | 3. Miller AL: Dimercaptosuccinic acid (DMSA), a non-toxic, water-soluble treatment for heavy metal toxicity. Altern Med Rev. 1998 Jun;3(3):199-207. | | 4. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. | | 5. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. | | 6. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. | | 7. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. | | 8. The lipid handbook with CD-ROM |
|
|---|
