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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB001967 |
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Identification |
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| Name: |
Thioglycolate |
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| Description: | Thioglycolic acid (TGA) is the organic compound HSCH2CO2H. It contains both a thiol (mercaptan) and a carboxylic acid. It is a clear liquid with a strong unpleasant odor. It is readily oxidized by air to the corresponding disulfide [SCH2CO2H]2. It is use during the conversion of chloro-alanine to S-carboxymethyl-L-cysteine. |
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Structure |
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| Synonyms: | - Mercaptoacetate
- Mercaptoacetic acid
- Mercaptoethanoate
- Mercaptoethanoic acid
- Sulfanylacetate
- Sulfanylacetic acid
- Sulphanylacetate
- Sulphanylacetic acid
- Thioglycolate
- Thioglycolic acid
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Chemical Formula: |
C2H4O2S |
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| Average Molecular Weight: |
92.117 |
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| Monoisotopic Molecular
Weight: |
91.993200062 |
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| InChI Key: |
CWERGRDVMFNCDR-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4) |
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| CAS
number: |
513-66-6 |
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| IUPAC Name: | 2-sulfanylacetic acid |
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Traditional IUPAC Name: |
thioglycolic acid |
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| SMILES: | OC(=O)CS |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as alpha-mercaptocarboxylic acids. These are carboxylic acids that bear a thiol group at the C-2 position. Alpha-mercaptocarboxylic acids have the general formula RC(S)C(=O)O, where R = H, organyl group. |
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Kingdom |
Organic compounds |
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| Super Class | Organic acids and derivatives |
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Class |
Carboxylic acids and derivatives |
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| Sub Class | Carboxylic acids |
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Direct Parent |
alpha-Mercaptocarboxylic acids |
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| Alternative Parents |
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| Substituents |
- 2-mercaptocarboxylic acid
- Monocarboxylic acid or derivatives
- Alkylthiol
- Hydrocarbon derivative
- Organosulfur compound
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Liquid |
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| Charge: | -1 |
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Melting point: |
-16 ?C, 257 K, 3 ?F |
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| Experimental Properties: |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Cytoplasm |
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| Reactions: | |
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Pathways: |
Not Available |
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Spectra |
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| Spectra: |
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References |
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| References: |
- van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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