Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-24 02:17:02 UTC |
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Update Date | 2021-09-24 02:17:02 UTC |
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HMDB ID | HMDB0303489 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Iron(III) sulfate (Fe2(SO4)3) |
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Description | iron(3+) sulfate, also known as ferric sulfate or diiron trisulfate, belongs to the class of inorganic compounds known as transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a transition metal. Based on a literature review a significant number of articles have been published on iron(3+) sulfate. |
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Structure | [Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O InChI=1S/2Fe.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6 |
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Synonyms | Value | Source |
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Diiron tris(sulphate) | ChEBI | Diiron trisulfate | ChEBI | Ferric persulfate | ChEBI | Ferric sesquisulfate | ChEBI | Ferric sulfate | ChEBI | Ferric tersulfate | ChEBI | Iron persulfate | ChEBI | Iron sesquisulfate | ChEBI | Iron tersulfate | ChEBI | Iron(III) sulfate(VI) | ChEBI | Iron(III) sulfate | ChEBI | Diiron tris(sulfate) | Generator | Diiron tris(sulfuric acid) | Generator | Diiron tris(sulphuric acid) | Generator | Diiron trisulfuric acid | Generator | Diiron trisulphate | Generator | Diiron trisulphuric acid | Generator | Ferric persulfuric acid | Generator | Ferric persulphate | Generator | Ferric persulphuric acid | Generator | Ferric sesquisulfuric acid | Generator | Ferric sesquisulphate | Generator | Ferric sesquisulphuric acid | Generator | Ferric sulfuric acid | Generator | Ferric sulphate | Generator | Ferric sulphuric acid | Generator | Ferric tersulfuric acid | Generator | Ferric tersulphate | Generator | Ferric tersulphuric acid | Generator | Iron persulfuric acid | Generator | Iron persulphate | Generator | Iron persulphuric acid | Generator | Iron sesquisulfuric acid | Generator | Iron sesquisulphate | Generator | Iron sesquisulphuric acid | Generator | Iron tersulfuric acid | Generator | Iron tersulphate | Generator | Iron tersulphuric acid | Generator | Iron(III) sulfuric acid(VI) | Generator | Iron(III) sulphate(VI) | Generator | Iron(III) sulphuric acid(VI) | Generator | Iron(III) sulfuric acid | Generator | Iron(III) sulphate | Generator | Iron(III) sulphuric acid | Generator | Iron(3+) sulfuric acid | Generator | Iron(3+) sulphate | Generator | Iron(3+) sulphuric acid | Generator | Ferric sulfate heptahydrate | MeSH | Ferric sulfate hexahydrate | MeSH | Ferric sulfate hydrate | MeSH | Ferric sulfate monohydrate | MeSH | Ferric sulfate nonahydrate | MeSH | Ferric sulfate tetrahydrate | MeSH | Ferric sulfate trihydrate | MeSH | Ferric sulfate, basic | MeSH | Polyferric sulfate | MeSH | Iron(III) sulfuric acid (fe2(so4)3) | Generator | Iron(III) sulphate (fe2(so4)3) | Generator | Iron(III) sulphuric acid (fe2(so4)3) | Generator |
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Chemical Formula | Fe2O12S3 |
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Average Molecular Weight | 399.878 |
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Monoisotopic Molecular Weight | 399.7250718 |
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IUPAC Name | diiron(3+) ion trisulfate |
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Traditional Name | diiron(3+) ion trisulfate |
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CAS Registry Number | Not Available |
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SMILES | [Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O |
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InChI Identifier | InChI=1S/2Fe.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6 |
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InChI Key | RUTXIHLAWFEWGM-UHFFFAOYSA-H |
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Chemical Taxonomy |
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Description | Belongs to the class of inorganic compounds known as transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a transition metal. |
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Kingdom | Inorganic compounds |
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Super Class | Mixed metal/non-metal compounds |
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Class | Transition metal oxoanionic compounds |
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Sub Class | Transition metal sulfates |
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Direct Parent | Transition metal sulfates |
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Alternative Parents | |
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Substituents | - Transition metal sulfate
- Inorganic oxide
- Inorganic salt
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Molecular Framework | Not Available |
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External Descriptors | |
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Ontology |
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Not Available | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | 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 IndicesNot Available |
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| MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Iron(III) sulfate (Fe2(SO4)3) 10V, Positive-QTOF | splash10-0udi-0000900000-99d7420083777d4f9280 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Iron(III) sulfate (Fe2(SO4)3) 20V, Positive-QTOF | splash10-0udi-0000900000-99d7420083777d4f9280 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Iron(III) sulfate (Fe2(SO4)3) 40V, Positive-QTOF | splash10-0udi-0000900000-99d7420083777d4f9280 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Iron(III) sulfate (Fe2(SO4)3) 10V, Negative-QTOF | splash10-0002-0009000000-74d7a5bab4ac73f471a3 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Iron(III) sulfate (Fe2(SO4)3) 20V, Negative-QTOF | splash10-0002-0009000000-74d7a5bab4ac73f471a3 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Iron(III) sulfate (Fe2(SO4)3) 40V, Negative-QTOF | splash10-0002-0009000000-74d7a5bab4ac73f471a3 | 2016-08-03 | Wishart Lab | View Spectrum |
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