Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:20:25 UTC |
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Update Date | 2020-06-04 20:29:37 UTC |
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BMDB ID | BMDB0000164 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Methylamine |
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Description | Methylamine, also known as aminomethane or methanamine, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. Methylamine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Methylamine exists in all living organisms, ranging from bacteria to humans. 3,4-Dihydroxymandelaldehyde and methylamine can be biosynthesized from epinephrine through its interaction with the enzyme amine oxidase [flavin-containing] a. In cattle, methylamine is involved in the metabolic pathway called the tyrosine metabolism pathway. Methylamine is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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Aminomethane | ChEBI | CH3-NH2 | ChEBI | MeNH2 | ChEBI | Methanamine | ChEBI | MMA | ChEBI | Monomethylamine | ChEBI | Anhydrous methylamine | HMDB | Carbinamine | HMDB | Imizin | HMDB | Mercurialin | HMDB | Methyl group | HMDB | Methyl OF gamma-N-methylasparagine | HMDB | Methylamine anhydrous | HMDB | Methylamine aqueous solution | HMDB | Methylamine solution | HMDB | Methylamine solutions | HMDB | Methylaminen | HMDB | Metilamine | HMDB | Metyloamina | HMDB | N-Methylamine | HMDB | NMA | HMDB | NME | HMDB | Methylamine ion (1-) | HMDB | Methylamine nitrate | HMDB | Methylamine perchlorate | HMDB | Methylamine sulfate (1:1) | HMDB | Methylamine sulfate (2:1) | HMDB | Methylamine, 13C-labeled | HMDB | Methylamine, 14C-labeled | HMDB | Methylamine, 15N-labeled | HMDB | Methylamine hydrobromide | HMDB | Methylamine hydrochloride, 14C-labeled | HMDB | Methylamine, cesium salt | HMDB | Methylamine, monopotassium salt | HMDB | Methylammonium | HMDB | Methylammonium ion | HMDB | Methylamine hydroiodide | HMDB | Methylamine, monosodium salt | HMDB | Methylamine bisulfite | HMDB | Methylamine hydride | HMDB | Methylamine hydrochloride | HMDB | Methylamine hydrofluoride | HMDB | Methylamine hydrogen cyanide | HMDB | Monomethylammonium ion | HMDB |
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Chemical Formula | CH5N |
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Average Molecular Weight | 31.0571 |
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Monoisotopic Molecular Weight | 31.042199165 |
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IUPAC Name | methanamine |
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Traditional Name | methylamine |
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CAS Registry Number | 74-89-5 |
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SMILES | CN |
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InChI Identifier | InChI=1S/CH5N/c1-2/h2H2,1H3 |
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InChI Key | BAVYZALUXZFZLV-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. |
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Kingdom | Organic compounds |
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Super Class | Organic nitrogen compounds |
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Class | Organonitrogen compounds |
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Sub Class | Amines |
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Direct Parent | Monoalkylamines |
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Alternative Parents | |
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Substituents | - Organopnictogen compound
- Hydrocarbon derivative
- Primary aliphatic amine
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Status | Detected and Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | |
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Physical Properties |
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State | Liquid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | -93.4 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 1080 mg/mL at 25 °C | Not Available | LogP | -0.57 | HANSCH,C ET AL. (1995) |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-001i-9000000000-50fb665f1ba89a03baf9 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-001i-9000000000-93f5049fa2e67d0da26d | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-001i-9000000000-53c64a174764bada8913 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-001i-9000000000-1c10568342e547416eaf | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-9000000000-2910620cfb01718df17f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9000000000-2910620cfb01718df17f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9000000000-2910620cfb01718df17f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-9000000000-f140127f4f4b677d2975 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-9000000000-f140127f4f4b677d2975 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-f140127f4f4b677d2975 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-9000000000-986b844d44ea8cab8877 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-9000000000-986b844d44ea8cab8877 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-986b844d44ea8cab8877 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-9000000000-d90d418cf76ae365e6c5 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9000000000-d90d418cf76ae365e6c5 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9000000000-d90d418cf76ae365e6c5 | View in MoNA |
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MS | Mass Spectrum (Electron Ionization) | splash10-001i-9000000000-43b9d7b881c659f2ceb1 | View in MoNA |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 125 MHz, H2O, experimental) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 400 MHz, H2O, experimental) | Not Available | View in JSpectraViewer |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Pathways | |
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Normal Concentrations |
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Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 181-2390 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 4-49 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 132 +/- 116 uM | Not Specified | Not Specified | Normal | | details |
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Abnormal Concentrations |
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Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Treated with growth-promoting hormones | | details |
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External Links |
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HMDB ID | HMDB0000164 |
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DrugBank ID | DB01828 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB003958 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 6089 |
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KEGG Compound ID | C00218 |
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BioCyc ID | METHYLAMINE |
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BiGG ID | 1800349 |
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Wikipedia Link | Methylamine |
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METLIN ID | 3767 |
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PubChem Compound | 6329 |
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PDB ID | Not Available |
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ChEBI ID | 16830 |
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References |
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Synthesis Reference | Denham, William S.; Knapp, Lionel F. The preparation of methylamine from ammonium methyl sulfate. Journal of the Chemical Society, Transactions (1920), 117 236-47. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. [PubMed:28306241 ]
- Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. [PubMed:29291809 ]
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