Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:45:27 UTC |
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Update Date | 2022-03-07 02:53:07 UTC |
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HMDB ID | HMDB0031787 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Fenamiphos |
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Description | Fenamiphos, also known as nemacur or bay sra 3886, belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group. Based on a literature review very few articles have been published on Fenamiphos. |
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Structure | CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1 InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) |
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Synonyms | Value | Source |
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Ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphate | ChEBI | Ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidate | ChEBI | Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate | ChEBI | Isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphate | ChEBI | Methaphenamiphos | ChEBI | Nemacur | ChEBI | Phenamiphos | ChEBI | Ethyl 3-methyl-4-(methylsulfanyl)phenyl (1-methylethyl)amidophosphoric acid | Generator | Ethyl 3-methyl-4-(methylsulphanyl)phenyl (1-methylethyl)amidophosphate | Generator | Ethyl 3-methyl-4-(methylsulphanyl)phenyl (1-methylethyl)amidophosphoric acid | Generator | Ethyl 3-methyl-4-(methylthio)phenyl isopropylphosphoramidic acid | Generator | Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidic acid | Generator | Isopropylamino-O-ethyl-(4-methylmercapto-3-methylphenyl)phosphoric acid | Generator | BAY sra 3886 | HMDB | Ethyl 3-methyl-4-(methylthio)phenyl 1-methylethylphosphoramidate, 9ci | HMDB | Ethyl 3-methyl-4-(methylthio)phenyl isopropylamidophosphate | HMDB | Ethyl 4-(methylthio)m-tolyl isopropylphosphoroamidate | HMDB | Ethyl 4-methylthio-m-tolyl isopropylphosphoramidate, 8ci | HMDB | Ethyl-4-(methylthio)-m-tolyl isopropylphosphoramidate | HMDB | m-Cresol, 4-(methylthio)-, ethyl isopropylphosphoramidate | HMDB | Nemacur p | HMDB | Phenamifos sulfoxide | HMDB |
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Chemical Formula | C13H22NO3PS |
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Average Molecular Weight | 303.357 |
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Monoisotopic Molecular Weight | 303.105800777 |
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IUPAC Name | {ethoxy[3-methyl-4-(methylsulfanyl)phenoxy]phosphoryl}(propan-2-yl)amine |
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Traditional Name | fenamiphos |
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CAS Registry Number | 22224-92-6 |
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SMILES | CCOP(=O)(NC(C)C)OC1=CC=C(SC)C(C)=C1 |
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InChI Identifier | InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) |
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InChI Key | ZCJPOPBZHLUFHF-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Phenoxy compounds |
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Direct Parent | Phenoxy compounds |
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Alternative Parents | |
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Substituents | - Phenoxy compound
- Aryl thioether
- Thiophenol ether
- Phosphoric diester monoamide
- Toluene
- Alkylarylthioether
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Organic phosphoric acid amide
- Sulfenyl compound
- Thioether
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Organosulfur compound
- Organooxygen compound
- Organic oxide
- Organonitrogen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 49 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.33 mg/mL at 20 °C | Not Available | LogP | 3.23 | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized | Show more...
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Fenamiphos GC-MS (Non-derivatized) - 70eV, Positive | splash10-0w99-3890000000-69a80218e9aa4efa6a6e | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Fenamiphos GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-0udi-8953000000-a605d591b58cd6b9edb9 | 2014-09-20 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - Fenamiphos 60V, Positive-QTOF | splash10-0uxr-0390000000-27a48287856f24d6700c | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Fenamiphos 75V, Positive-QTOF | splash10-0udi-2690000000-b722d2a9468435e12094 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Fenamiphos 30V, Positive-QTOF | splash10-0159-0090000000-d4a04a50c394cba968e1 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Fenamiphos 45V, Positive-QTOF | splash10-014i-0090000000-93cb423c35280cf6e7a7 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Fenamiphos 15V, Positive-QTOF | splash10-0udi-0069000000-96078b842ad6c61e3d2a | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Fenamiphos 90V, Positive-QTOF | splash10-0udi-5940000000-d70a968d944ba49dd1ce | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 10V, Positive-QTOF | splash10-002r-1961000000-6a59a7d3929cb6c1f452 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 20V, Positive-QTOF | splash10-001i-1390000000-87f8471e9c820add2e93 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 40V, Positive-QTOF | splash10-000i-4900000000-26f0133ccf950f4cf465 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 10V, Negative-QTOF | splash10-0zfs-4293000000-8d0f5c9a48d2dd05e238 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 20V, Negative-QTOF | splash10-004i-2290000000-1a517cae8a7e665e46e0 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 40V, Negative-QTOF | splash10-000b-7910000000-0b3532563157c053e6b1 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 10V, Negative-QTOF | splash10-0udi-0129000000-c0cdb30129c325b775b6 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 20V, Negative-QTOF | splash10-0udi-0901000000-5cbc3028107c94f320c3 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 40V, Negative-QTOF | splash10-0udi-0910000000-6fc9bd5a7c66c0afa14b | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 10V, Positive-QTOF | splash10-0imi-0193000000-f9f9fe0b8a64c4666f70 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 20V, Positive-QTOF | splash10-00or-0390000000-41b52eaec89c60dbd994 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Fenamiphos 40V, Positive-QTOF | splash10-052u-6930000000-918bc9e7576314e226bb | 2021-09-24 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB008460 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 28827 |
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KEGG Compound ID | C18659 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Fenamiphos |
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METLIN ID | Not Available |
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PubChem Compound | 31070 |
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PDB ID | Not Available |
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ChEBI ID | 38680 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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