Record Information |
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Version | 2.0 |
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Creation Date | 2012-08-03 15:09:31 -0600 |
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Update Date | 2015-06-03 17:21:26 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | 4-Oxohexanoate |
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Description | 4-Oxohexanoate is a member of the chemical class 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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Structure | |
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Synonyms: | - 4-Ketohexanoate
- 4-Ketohexanoic acid
- 4-Ketohxanoate
- 4-Ketohxanoic acid
- 4-Oxohexanoic acid
- g-Ketohexanoate
- g-Ketohexanoic acid
- g-Oxohexanoate
- g-Oxohexanoic acid
- gamma-Ketohexanoate
- Gamma-Ketohexanoic acid
- gamma-Oxohexanoate
- Gamma-Oxohexanoic acid
- γ-Ketohexanoate
- γ-Ketohexanoic acid
- γ-Oxohexanoate
- γ-Oxohexanoic acid
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Chemical Formula: | C6H10O3 |
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Weight: | Average: 130.1418 Monoisotopic: 130.062994186 |
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InChI Key: | CLJBDOUIEHLLEN-UHFFFAOYSA-N |
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InChI: | InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9) |
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CAS number: | 1117-74-4 |
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IUPAC Name: | 4-oxohexanoic acid |
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Traditional IUPAC Name: | 4-keto-n-caproic acid |
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SMILES: | CCC(=O)CCC(O)=O |
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Chemical Taxonomy |
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Description | 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
- Gamma-keto acid
- Ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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: | Not Available |
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Charge: | -1 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Concentration | Strain | Media | Growth Status | Growth System | Temperature | Details |
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32± 0 uM | BW25113 | 48 mM Na2HPO4, 22 mM KH2PO4, 10 mM NaCl, 45 mM (NH4)2SO4, supplemented with 1 mM MgSO4, 1 mg/l thiamine·HCl, 5.6 mg/l CaCl2, 8 mg/l FeCl3, 1 mg/l MnCl2·4H2O, 1.7 mg/l ZnCl2, 0.43 mg/l CuCl2·2H2O, 0.6 mg/l CoCl2·2H2O and 0.6 mg/l Na2MoO4·2H2O. 4 g/L Gluco | Stationary Phase, glucose limited | Bioreactor, pH controlled, O2 and CO2 controlled, dilution rate: 0.2/h | 37 oC | PMID: 17379776 |
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Spectra |
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Spectra: | |
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References |
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References: | - Ishii, N., Nakahigashi, K., Baba, T., Robert, M., Soga, T., Kanai, A., Hirasawa, T., Naba, M., Hirai, K., Hoque, A., Ho, P. Y., Kakazu, Y., Sugawara, K., Igarashi, S., Harada, S., Masuda, T., Sugiyama, N., Togashi, T., Hasegawa, M., Takai, Y., Yugi, K., Arakawa, K., Iwata, N., Toya, Y., Nakayama, Y., Nishioka, T., Shimizu, K., Mori, H., Tomita, M. (2007). "Multiple high-throughput analyses monitor the response of E. coli to perturbations." Science 316:593-597. Pubmed: 17379776
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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: | Resource | Link |
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CHEBI ID | Not Available | HMDB ID | Not Available | Pubchem Compound ID | 3799774 | Kegg ID | Not Available | ChemSpider ID | 3027127 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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