Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB120307 |
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Identification |
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Name: |
(2Z,4Z)-2-hydroxyhexa-2,4-dienoate |
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Description: | A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid. |
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Structure |
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Synonyms: | - (2Z,4Z)-2-hydroxyhexa-2,4-dienoate
- (Z,Z)-2-hydroxyhexa-2,4-dienoate
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Chemical Formula: |
C6H7O3 |
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Average Molecular Weight: |
127.119 |
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Monoisotopic Molecular
Weight: |
128.04735 |
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InChI Key: |
VPGPQVKJUYKKNN-LDIADDGTSA-M |
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InChI: | InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-4,7H,1H3,(H,8,9)/p-1/b3-2-,5-4- |
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CAS
number: |
Not Available |
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IUPAC Name: | Not Available |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | CC=CC=C(O)C(=O)[O-] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
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Kingdom |
Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class |
Fatty Acyls |
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Sub Class | Fatty acids and conjugates |
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Direct Parent |
Medium-chain fatty acids |
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Alternative Parents |
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Substituents |
- Medium-chain fatty acid
- Hydroxy fatty acid
- Unsaturated fatty acid
- Monocarboxylic acid or derivatives
- Enol
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Organic anion
- Aliphatic acyclic compound
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Molecular Framework |
Aliphatic acyclic compounds |
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External Descriptors |
- a small molecule (CPD-13712)
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Physical Properties |
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State: |
Not Available |
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Charge: | -1 |
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Melting point: |
Not Available |
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Experimental Properties: |
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: | (2Z,4Z)-2-hydroxyhexa-2,4-dienoate + Water → (S)-4-hydroxy-2-oxohexanoate(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1 (10),2-dien-4-oate + Water → 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate + (2Z,4Z)-2-hydroxyhexa-2,4-dienoate + Hydrogen ion |
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Pathways: |
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Spectra |
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Spectra: |
Not Available |
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References |
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References: |
- Horinouchi M, Hayashi T, Koshino H, Kurita T, Kudo T (2005)Identification of 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid, 4-hydroxy-2-oxohexanoic acid, and 2-hydroxyhexa-2,4-dienoic acid and related enzymes involved in testosterone degradation in Comamonas testosteroni TA441. Applied and environmental microbiology 71, Pubmed: 16151114
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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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