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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 | PAMDB110742 |
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Identification |
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| Name: |
3-oxodecanoate |
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| Description: | A 3-oxo monocarboxylic acid anion that is the conjugate base of 3-oxodecanoic acid, obtained by deprotonation of the carboxy group. |
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Structure |
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| Synonyms: | -
3-oxodecanoic acid
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β-ketodecanoic acid
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β-ketodecanoate
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Chemical Formula: |
C10H17O3
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| Average Molecular Weight: |
186.1255944441 |
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| Monoisotopic Molecular
Weight: |
186.1255944441 |
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| InChI Key: |
YXTHWTPUTHTODU-UHFFFAOYSA-M |
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| InChI: |
InChI=1S/C10H18O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h2-8H2,1H3,(H,12,13)/p-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 3-oxodecanoate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CCCCCCCC(=O)CC([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 keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
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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 | Medium-chain keto acids and derivatives |
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Direct Parent |
Medium-chain keto acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Medium-chain keto acid
- Beta-keto acid
- 1,3-dicarbonyl compound
- Ketone
- Monocarboxylic acid or derivatives
- 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 |
- 3-oxo monocarboxylic acid anion, oxo fatty acid anion (CHEBI:75923)
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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: | |
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Pathways: |
- 2-heptyl-3-hydroxy-4(1H)-quinolone biosynthesisPWY-6660
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- Pistorius D, Ullrich A, Lucas S, Hartmann RW, Kazmaier U, Müller R (2011)Biosynthesis of 2-Alkyl-4(1H)-quinolones in Pseudomonas aeruginosa: potential for therapeutic interference with pathogenicity. Chembiochem : a European journal of chemical biology 12, Pubmed: 21425231
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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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