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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 | PAMDB120002 |
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Identification |
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| Name: |
(S)-2-acetolactate |
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| Description: | conjugate base of (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid. |
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Structure |
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| Synonyms: | - (S)-2-Acetolactate
- (S)-2-hydroxy-2-methyl-3-oxobutanoate
(2S)-2-hydroxy-2-methyl-3-oxobutanoateX2X |
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Chemical Formula: |
C5H7O4 |
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| Average Molecular Weight: |
131.108 |
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| Monoisotopic Molecular
Weight: |
132.04225 |
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| InChI Key: |
NMDWGEGFJUBKLB-YFKPBYRVSA-M |
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| InChI: | InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/p-1/t5-/m0/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (2S)-2-hydroxy-2-methyl-3-oxobutanoate |
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Traditional IUPAC Name: |
acetolactic acid |
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| SMILES: | CC(=O)C(C)(O)C(=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 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
- Methyl-branched fatty 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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