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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 | PAMDB120600 |
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Identification |
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| Name: |
2-keto-L-gulonate |
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| Description: | 2-Keto-L-gluconate is a derivative of gluconic acid, which occurs naturally in fruit, honey and wine and is used as a food additive, an acidity regulator. It is also used in cleaning products where it helps cleaning up mineral deposits. It is a strong chelating agent, especially in alkaline solution. It chelates the anions of calcium, iron, aluminium, copper, and other heavy metals. |
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Structure |
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| Synonyms: | - 2-dehydro-L-idonate
- 2-Dehydro-L-idonate
- 2-Keto-L-gulonate
- 2-Oxo-L-gulonate
- L-Sorbosonate
- L-xylo-hex-2-ulosonate
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Chemical Formula: |
C6H9O7 |
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| Average Molecular Weight: |
193.133 |
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| Monoisotopic Molecular
Weight: |
194.04265 |
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| InChI Key: |
VBUYCZFBVCCYFD-NUNKFHFFSA-M |
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| InChI: | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/p-1/t2-,3+,4-/m0/s1 |
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| CAS
number: |
91548-32-2 |
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| IUPAC Name: | L-sorbosonate |
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Traditional IUPAC Name: |
2-keto-D-gluconic acid |
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| SMILES: | C(C(C(C(C(CO)O)O)O)=O)([O-])=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic oxygen compounds |
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| Sub Class | Organooxygen compounds |
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Direct Parent |
Sugar acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Hexose monosaccharide
- Medium-chain keto acid
- Beta-hydroxy acid
- Sugar acid
- Acyloin
- Alpha-keto acid
- Beta-hydroxy ketone
- Hydroxy acid
- Keto acid
- Monosaccharide
- Alpha-hydroxy ketone
- Ketone
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Polyol
- Alcohol
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Primary alcohol
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
Not Available |
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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) |
Not Available |
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Links |
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| External Links: |
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