Record Information |
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Version | 2.0 |
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Creation Date | 2012-07-30 14:55:17 -0600 |
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Update Date | 2015-06-03 17:21:09 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol |
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Description | Cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol is a member of the chemical class known as Cyclic Alcohols and Derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group. Cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol is invovled in Phenylpropionic acid degradation. r 15;80(8):2939-48.) |
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Structure | |
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Synonyms: | - 3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate
- 3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoate
- 3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoic acid
- cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol
- cis-3-(carboxyethyl)-3,5-cyclohexadiene-1,2-diol
- Cis-3-(Carboxyethyl)-3,5-cyclohexadiene-1,2-diol
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Chemical Formula: | C9H11O4 |
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Weight: | Average: 183.1812 Monoisotopic: 183.06573384 |
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InChI Key: | RKDFGWAXBBGKMR-APPZFPTMSA-M |
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InChI: | InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/p-1/t7-,9+/m1/s1 |
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CAS number: | Not Available |
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IUPAC Name: | 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoate |
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Traditional IUPAC Name: | 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoate |
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SMILES: | [H]O[C@]1([H])C([H])=C([H])C([H])=C(C([H])([H])C([H])([H])C([O-])=O)[C@]1([H])O[H] |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Alcohols and polyols |
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Direct Parent | 1,2-diols |
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Alternative Parents | |
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Substituents | - Secondary alcohol
- 1,2-diol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Organic anion
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic 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: | Hydrogen ion + NADH + Oxygen + Hydrocinnamic acid > Cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol + NADCis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol + NAD > 3-(2,3-Dihydroxyphenyl)propionic acid + Hydrogen ion + NADHNADH + Oxygen + 3-phenylpropanoate <> NAD + Cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-dioltrans-Cinnamic acid + Hydrogen ion + Oxygen + NADH > Cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol + NADCis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol + NAD > 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid + NADH + Hydrogen ion |
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SMPDB Pathways: | |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | - 3-phenylpropionate and 3-(3-hydroxyphenyl)propionate degradation to 2-oxopent-4-enoate HCAMHPDEG-PWY
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | |
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References |
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References: | - Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
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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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