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 19:45:32 UTC |
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Update Date | 2023-02-21 17:24:24 UTC |
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HMDB ID | HMDB0034830 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Amidosulfonic acid |
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Description | Amidosulfonic acid, also known as sulfamate or sulfamidic acid, belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. Amidosulfonic acid is a bland and fatty tasting compound. Based on a literature review a significant number of articles have been published on Amidosulfonic acid. |
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Structure | InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4) |
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Synonyms | Value | Source |
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[S(NH2)O2(OH)] | ChEBI | Amidoschwefelsaeure | ChEBI | Amidosulfuric acid | ChEBI | Aminosulfonic acid | ChEBI | Imidosulfonic acid | ChEBI | Sulfamidic acid | ChEBI | Sulfamidsaeure | ChEBI | Sulfaminic acid | ChEBI | Sulphamic acid | ChEBI | Sulphamidic acid | ChEBI | Amidosulfate | Generator | Amidosulphate | Generator | Amidosulphuric acid | Generator | Aminosulfonate | Generator | Aminosulphonate | Generator | Aminosulphonic acid | Generator | Imidosulfonate | Generator | Imidosulphonate | Generator | Imidosulphonic acid | Generator | Sulfamidate | Generator | Sulphamidate | Generator | Sulphamidsaeure | Generator | Sulfaminate | Generator | Sulphaminate | Generator | Sulphaminic acid | Generator | Sulfamate | Generator | Sulfamic acid | Generator | Sulphamate | Generator | Amidosulfonate | Generator | Amidosulphonate | Generator | Amidosulphonic acid | Generator | Ammate | MeSH | Ammonium sulfamate | MeSH | Sulfamic acid, indium (+3) salt | MeSH | Sulfamic acid, magnesium salt (2:1) | MeSH | Sulfamic acid, monoammonium salt | MeSH | Sulfamic acid, monopotassium salt | MeSH | Sulfamic acid, nickel (+2) salt (2:1) | MeSH | Sulfamic acid, tin (+2) salt | MeSH | Sulfamic acid, zinc (2:1) salt | MeSH | 7773-06-0 (mono-Ammonium salt) | HMDB | Amidohydroxidodioxidosulfur | HMDB | Aminosulfuric acid | HMDB | Jumbo | HMDB | Sulfamic acid, acs | HMDB | Sulfamic acid, reag | HMDB | Sulfuramidic acid | HMDB | Amidosulfonic acid | MeSH |
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Chemical Formula | H3NO3S |
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Average Molecular Weight | 97.094 |
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Monoisotopic Molecular Weight | 96.983363657 |
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IUPAC Name | sulfamic acid |
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Traditional Name | sulfonic acids |
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CAS Registry Number | 5329-14-6 |
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SMILES | NS(O)(=O)=O |
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InChI Identifier | InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4) |
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InChI Key | IIACRCGMVDHOTQ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. |
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Kingdom | Inorganic compounds |
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Super Class | Homogeneous non-metal compounds |
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Class | Other non-metal organides |
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Sub Class | Other non-metal oxides |
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Direct Parent | Other non-metal oxides |
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Alternative Parents | |
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Substituents | - Other non-metal oxide
- Sulfuric acid monoamide
- Inorganic oxide
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Molecular Framework | Not Available |
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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 | 205 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 147 mg/mL at 0 °C | Not Available | LogP | 0.10 | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Amidosulfonic acid,1TMS,isomer #1 | C[Si](C)(C)OS(N)(=O)=O | 1237.5 | Semi standard non polar | 33892256 | Amidosulfonic acid,1TMS,isomer #1 | C[Si](C)(C)OS(N)(=O)=O | 1036.3 | Standard non polar | 33892256 | Amidosulfonic acid,1TMS,isomer #2 | C[Si](C)(C)NS(=O)(=O)O | 1306.3 | Semi standard non polar | 33892256 | Amidosulfonic acid,1TMS,isomer #2 | C[Si](C)(C)NS(=O)(=O)O | 1035.4 | Standard non polar | 33892256 | Amidosulfonic acid,2TMS,isomer #1 | C[Si](C)(C)NS(=O)(=O)O[Si](C)(C)C | 1317.3 | Semi standard non polar | 33892256 | Amidosulfonic acid,2TMS,isomer #1 | C[Si](C)(C)NS(=O)(=O)O[Si](C)(C)C | 1196.6 | Standard non polar | 33892256 | Amidosulfonic acid,2TMS,isomer #2 | C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)O | 1372.8 | Semi standard non polar | 33892256 | Amidosulfonic acid,2TMS,isomer #2 | C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)O | 1237.8 | Standard non polar | 33892256 | Amidosulfonic acid,3TMS,isomer #1 | C[Si](C)(C)OS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C | 1381.6 | Semi standard non polar | 33892256 | Amidosulfonic acid,3TMS,isomer #1 | C[Si](C)(C)OS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C | 1434.0 | Standard non polar | 33892256 | Amidosulfonic acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OS(N)(=O)=O | 1514.2 | Semi standard non polar | 33892256 | Amidosulfonic acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OS(N)(=O)=O | 1380.4 | Standard non polar | 33892256 | Amidosulfonic acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NS(=O)(=O)O | 1570.5 | Semi standard non polar | 33892256 | Amidosulfonic acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NS(=O)(=O)O | 1349.4 | Standard non polar | 33892256 | Amidosulfonic acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NS(=O)(=O)O[Si](C)(C)C(C)(C)C | 1782.9 | Semi standard non polar | 33892256 | Amidosulfonic acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NS(=O)(=O)O[Si](C)(C)C(C)(C)C | 1771.3 | Standard non polar | 33892256 | Amidosulfonic acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O | 1840.1 | Semi standard non polar | 33892256 | Amidosulfonic acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)O | 1770.8 | Standard non polar | 33892256 | Amidosulfonic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2050.2 | Semi standard non polar | 33892256 | Amidosulfonic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2229.0 | Standard non polar | 33892256 |
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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 - Amidosulfonic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-9000000000-b80de3cb8454bb1abeb5 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Amidosulfonic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 10V, Positive-QTOF | splash10-0002-9000000000-efeb3d84c84231391b2f | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 20V, Positive-QTOF | splash10-0002-9000000000-040d54c18f68ee2f3646 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 40V, Positive-QTOF | splash10-0002-9000000000-ff40a709e1e93f1f4c0c | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 10V, Negative-QTOF | splash10-0002-9000000000-89cae7eef527dd2813be | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 20V, Negative-QTOF | splash10-0002-9000000000-2741d39506877b30d906 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 40V, Negative-QTOF | splash10-004i-9000000000-3f3ec45c890281a9c57c | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 10V, Positive-QTOF | splash10-0002-9000000000-c5ebf2d9e270f55717cc | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 20V, Positive-QTOF | splash10-004j-9000000000-d8fda243c9f129b34218 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 40V, Positive-QTOF | splash10-01t9-9000000000-6f08331e6575f7f6ee04 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 10V, Negative-QTOF | splash10-0002-9000000000-4f7eb7b70c6f30894509 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 20V, Negative-QTOF | splash10-0002-9000000000-4f7eb7b70c6f30894509 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Amidosulfonic acid 40V, Negative-QTOF | splash10-0002-9000000000-4f7eb7b70c6f30894509 | 2021-09-22 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-04 | FELIX lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Tissue Locations | |
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Pathways | |
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Normal Concentrations |
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Blood | Expected but not Quantified | Not Quantified | Not Available | Not Available | Normal | | details | Urine | Expected but not Quantified | Not Quantified | Not Available | Not Available | Normal | | details |
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Abnormal Concentrations |
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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 | FDB013393 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 5767 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Sulfamic_acid |
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METLIN ID | Not Available |
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PubChem Compound | 5987 |
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PDB ID | Not Available |
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ChEBI ID | 9330 |
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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 | rw1284941 |
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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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