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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 | PAMDB110180 |
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Identification |
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| Name: |
3-mercaptopyruvate |
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| Description: | The conjugate base of 3-mercaptopyruvic acid. |
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Structure |
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| Synonyms: | -
mercaptopyruvate
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3-mercaptopyruvic acid
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β-thiopyruvate
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β-mercaptopyruvate
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Chemical Formula: |
C3H3O3S
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| Average Molecular Weight: |
119.12 |
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| Monoisotopic Molecular
Weight: |
119.9881146847 |
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| InChI Key: |
OJOLFAIGOXZBCI-UHFFFAOYSA-M |
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| InChI: |
InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)/p-1 |
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| CAS
number: |
2464-23-5 |
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| IUPAC Name: | 2-oxo-3-sulfanylpropanoate |
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Traditional IUPAC Name: |
?-mercaptopyruvic acid |
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| SMILES: | C(C(C(=O)[O-])=O)S |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic acids and derivatives |
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| Sub Class | Keto acids and derivatives |
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Direct Parent |
Alpha-keto acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Alpha-keto acid
- Alpha-hydroxy ketone
- Ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Alkylthiol
- Organic oxygen compound
- Organic oxide
- 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: | -1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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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) |
Download (PDF) |
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Links |
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| External Links: |
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