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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 | PAMDB110826 |
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Identification |
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| Name: |
(S)-2-aceto-2-hydroxybutanoate |
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| Description: | (S)-2-Aceto-2-hydroxybutanoic acid is an intermediate in branched chain amino acid metabolism. It is converted from 2-oxobutanoate or 2-hydoxyethyl ThPP via acetolactate synthase. |
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Structure |
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| Synonyms: | -
(S)-2-aceto-2-hydroxy-butyrate
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(S)-2-hydroxy-2-ethyl-3-oxobutanoate
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Chemical Formula: |
C6H9O4
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| Average Molecular Weight: |
145.13 |
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| Monoisotopic Molecular
Weight: |
146.0579088094 |
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| InChI Key: |
VUQLHQFKACOHNZ-LURJTMIESA-M |
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| InChI: |
InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/p-1/t6-/m0/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (2S)-2-ethyl-2-hydroxy-3-oxobutanoate |
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Traditional IUPAC Name: |
(2S)-2-ethyl-2-hydroxy-3-oxobutanoic acid |
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| SMILES: | CCC(O)(C(=O)[O-])C(C)=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. |
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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 |
Short-chain keto acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Beta-keto acid
- Branched fatty acid
- Hydroxy fatty acid
- Short-chain keto acid
- Alpha-hydroxy acid
- Fatty acyl
- Acyloin
- Beta-hydroxy ketone
- Hydroxy acid
- Tertiary alcohol
- Alpha-hydroxy ketone
- Ketone
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carbonyl group
- Alcohol
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- 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) |
Not Available |
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Links |
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| External Links: |
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