|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 11:54:54 AM |
|---|
|
Metabolite ID | PAMDB110742 |
|---|
|
Identification |
|---|
| Name: |
3-oxodecanoate |
|---|
| Description: | A 3-oxo monocarboxylic acid anion that is the conjugate base of 3-oxodecanoic acid, obtained by deprotonation of the carboxy group. |
|---|
|
Structure |
|
|---|
| Synonyms: | -
3-oxodecanoic acid
-
β-ketodecanoic acid
-
β-ketodecanoate
|
|---|
|
Chemical Formula: |
C10H17O3
|
|---|
| Average Molecular Weight: |
186.1255944441 |
|---|
| Monoisotopic Molecular
Weight: |
186.1255944441 |
|---|
| InChI Key: |
YXTHWTPUTHTODU-UHFFFAOYSA-M |
|---|
| 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 |
|---|
| CAS
number: |
Not Available |
|---|
| IUPAC Name: | 3-oxodecanoate |
|---|
|
Traditional IUPAC Name: |
Not Available |
|---|
| SMILES: | CCCCCCCC(=O)CC([O-])=O |
|---|
|
Chemical Taxonomy |
|---|
|
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. |
|---|
|
Kingdom |
Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
|
Class |
Keto acids and derivatives |
|---|
| Sub Class | Medium-chain keto acids and derivatives |
|---|
|
Direct Parent |
Medium-chain keto acids and derivatives |
|---|
| Alternative Parents |
|
|---|
| 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
|
|---|
| Molecular Framework |
Aliphatic acyclic compounds |
|---|
| External Descriptors |
- 3-oxo monocarboxylic acid anion, oxo fatty acid anion (CHEBI:75923)
|
|---|
|
Physical Properties |
|---|
| State: |
Not Available |
|---|
| Charge: | -1 |
|---|
|
Melting point: |
Not Available |
|---|
| Experimental Properties: |
Not Available |
|---|
| Predicted Properties |
|
|---|
|
Biological Properties |
|---|
| Cellular Locations: |
Not Available |
|---|
| Reactions: | |
|---|
|
Pathways: |
- 2-heptyl-3-hydroxy-4(1H)-quinolone biosynthesisPWY-6660
|
|---|
|
Spectra |
|---|
| Spectra: |
Not Available |
|---|
|
References |
|---|
| 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
|
|---|
| Synthesis Reference: |
Not Available |
|---|
| Material Safety Data Sheet (MSDS) |
Not Available |
|---|
|
Links |
|---|
| External Links: |
|
|---|
