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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB001755 |
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Identification |
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| Name: |
Sulfoacetate |
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| Description: | Sulfoacetate is a member of the chemical class known as Sulfonic Acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R = H). Sulfoacetate is invovled in Taurine and hypotaurine metabolism. (KEGG) |
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Structure |
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| Synonyms: | - 2-Sulfoacetate
- 2-Sulfoacetic acid
- 2-Sulphoacetate
- 2-Sulphoacetic acid
- Sulfoacetate
- Sulfoacetic acid
- Sulfoethanoate
- Sulfoethanoic acid
- Sulphoacetate
- Sulphoacetic acid
- Sulphoethanoate
- Sulphoethanoic acid
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Chemical Formula: |
C2H4O5S |
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| Average Molecular Weight: |
140.115 |
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| Monoisotopic Molecular
Weight: |
139.977943928 |
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| InChI Key: |
AGGIJOLULBJGTQ-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7) |
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| CAS
number: |
123-43-3 |
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| IUPAC Name: | 2-sulfoacetic acid |
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Traditional IUPAC Name: |
sulfoacetic acid |
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| SMILES: | OC(=O)CS(O)(=O)=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
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Kingdom |
Organic compounds |
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| Super Class | Organic acids and derivatives |
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Class |
Sulfonic acids and derivatives |
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| Sub Class | Sulfonic acids |
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Direct Parent |
Sulfonic acids |
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| Alternative Parents |
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| Substituents |
- Alkanesulfonic acid
- Sulfonyl
- Sulfonic acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- 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: |
Solid |
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| Charge: | -2 |
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Melting point: |
85 °C |
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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: |
Not Available |
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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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