| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:35 UTC |
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| Update date | 2017-01-19 02:36:35 UTC |
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| FoodComEx ID | PC000765 |
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| FoodDB Record | FDB021862 |
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| Chemical Information |
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| Name | 3-Mercapto-2-oxopropanoic acid |
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| Description | 3-Mercaptopyruvic acid is an intermediate in cysteine metabolism. 3-Mercapto-2-oxopropanoic acid is found in many foods, some of which are common thyme, tamarind, caraway, and sea-buckthornberry. |
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| CAS Number | 2464-23-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Mercapto-2-oxopropanoate | Generator | | 3-Mercapto-2-oxopropanoic acid | manual | | 3-Mercapto-pyruvate | HMDB | | 3-Mercapto-pyruvic acid | HMDB | | 3-Mercaptopyruvate | manual | | 3-Mercaptopyruvic acid | ChEBI | | b-Mercaptopyruvic acid | db_source | | beta-3-Mercapto-2-oxo-propanoate | HMDB | | beta-3-Mercapto-2-oxo-propanoic acid | HMDB | | beta-Mercaptopyruvate | HMDB | | beta-Mercaptopyruvic acid | HMDB | | beta-Thiopyruvate | HMDB | | beta-Thiopyruvic acid | HMDB | | Mercaptopyruvate | manual | | Mercaptopyruvic acid | Generator | | Thiopyruvate | HMDB |
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| Chemical Formula | C3H4O3S |
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| IUPAC name | 2-oxo-3-sulfanylpropanoic acid |
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| InChI Identifier | InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) |
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| InChI Key | OJOLFAIGOXZBCI-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C(=O)CS |
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| Average Molecular Weight | 120.127 |
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| Monoisotopic Molecular Weight | 119.988114684 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds 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 | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Keto acids and derivatives |
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| Sub Class | Alpha-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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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Mp 140-141° | CCD |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 80 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
