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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 | PAMDB001162 |
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Identification |
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| Name: |
Propylphosphonate |
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| Description: | Propylphosphonate is a member of the chemical class known as Organic Phosphonic Acids and Derivatives. These are organic compounds containing phosphonic acid or a derivative thereof. . Phosphonates (Pn) are a large class of organophosphorus molecules that have direct carbon-phosphorus (C-P) bonds in place of the carbon-oxygen-phosphorus ester bond. In bacteria two pathways exist for Pn breakdown for use as a P source: the phosphonatase and C-P lyase pathways. These pathways differ both in regard to their substrate specificity and their cleavage mechanism. The phosphonatase pathway acts on the natural Pn alpha-aminoethylphosphonate (AEPn). In a two-step process it leads to cleavage of the C-P bond by a hydrolysis reaction requiring an adjacent carbonyl group. In contrast the C-P lyase pathway has a broad substrate specificity. It leads to cleavage of substituted Pn (such as AEPn) as well as unsubstituted Pn by a mechanism involving redox or radical chemistry. Due to its broad substrate specificity, the C-P lyase pathway is generally thought to be responsible for the breakdown of Pn herbicides (such as glyphosate) by bacteria. |
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Structure |
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| Synonyms: | - 1-Propylphosphonate
- 1-Propylphosphonic acid
- PPN
- Propanephosphonate
- Propanephosphonic acid
- Propylphosphonic acid
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Chemical Formula: |
C3H8O3P |
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| Average Molecular Weight: |
123.0676 |
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| Monoisotopic Molecular
Weight: |
123.021105634 |
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| InChI Key: |
NSETWVJZUWGCKE-UHFFFAOYSA-M |
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| InChI: | InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)/p-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | hydrogen propylphosphonate |
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Traditional IUPAC Name: |
hydrogen propylphosphonate |
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| SMILES: | CCCP(O)([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 organic phosphonic acids. These are organic compounds containing phosphonic acid. |
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Kingdom |
Organic compounds |
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| Super Class | Organophosphorus compounds |
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Class |
Organic phosphonic acids and derivatives |
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| Sub Class | Organic phosphonic acids |
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Direct Parent |
Organic phosphonic acids |
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| Alternative Parents |
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| Substituents |
- Organophosphonic acid
- Hydrocarbon derivative
- Organic anion
- 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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Pathways: |
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: |
| Resource | Link |
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| CHEBI ID | Not Available | | HMDB ID | Not Available | | Pubchem Compound ID | 25200508 | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | CPD0-1076 | | EcoCyc ID | CPD0-1076 |
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