| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-05-07 20:18:22 UTC |
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| Update date | 2020-09-17 15:40:52 UTC |
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| Primary ID | FDB030855 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Fe2+ |
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| Description | Iron, also known as fe (II) ion or fe(ii), belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. Iron is a weakly acidic compound (based on its pKa). Its chief functions are in the transport of oxygen to tissue (hemoglobin) and in cellular oxidation mechanisms. Iron exists in all living species, ranging from bacteria to humans. In humans, iron is involved in ibuprofen action pathway. Iron is also involved in several metabolic disorders, some of which include adenine phosphoribosyltransferase deficiency (APRT), porphyria variegata (PV), adenylosuccinate lyase deficiency, and AICA-ribosiduria. Outside of the human body, Iron has been detected, but not quantified in, several different foods, such as chinese cinnamons, nutmegs, sorghums, mustard spinachs, and acorns. This could make iron a potential biomarker for the consumption of these foods. Iron is a potentially toxic compound. Depletion of iron stores may result in iron-deficiency anemia. Those who are iron deficient may absorb up to 95% of an iron dose. |
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| CAS Number | 15438-31-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| FE (II) ion | ChEBI | | Fe(II) | ChEBI | | Fe2+ | ChEBI | | Fe(2+) | ChEBI | | Ferrous ion | ChEBI | | Iron ion(2+) | ChEBI | | Iron(2+) | Kegg | | Armco iron | HMDB | | Carbonyl iron | HMDB | | FE | HMDB | | Ferrovac e | HMDB | | Hematite | HMDB | | Infed | HMDB | | Limonite | HMDB | | LOHA | HMDB | | Magnetite | HMDB | | Malleable iron | HMDB | | Metopirone | HMDB | | Metyrapone | HMDB | | PZH2m | HMDB | | PZHO | HMDB | | Remko | HMDB | | Suy-b 2 | HMDB | | Taconite | HMDB | | Venofer | HMDB | | Wrought iron | HMDB | | Iron hydroxide (fe(OH)3) | MeSH, HMDB | | Iron oxyhydroxide | MeSH, HMDB | | Ferric hydroxide | MeSH, HMDB | | Iron hydroxide (III) | MeSH, HMDB |
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| Predicted Properties | |
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| Chemical Formula | Fe |
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| IUPAC name | lambda2-iron(2+) ion |
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| InChI Identifier | InChI=1S/Fe/q+2 |
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| InChI Key | CWYNVVGOOAEACU-UHFFFAOYSA-N |
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| Isomeric SMILES | [Fe++] |
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| Average Molecular Weight | 55.845 |
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| Monoisotopic Molecular Weight | 55.934942133 |
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| Classification |
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| Description | Belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. |
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| Kingdom | Inorganic compounds |
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| Super Class | Homogeneous metal compounds |
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| Class | Homogeneous transition metal compounds |
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| Sub Class | Not Available |
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| Direct Parent | Homogeneous transition metal compounds |
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| Alternative Parents | Not Available |
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| Substituents | - Homogeneous transition metal
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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 | Health effect: |
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| Disposition | Route of exposure: Source: Biological location: |
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| Role | Industrial application: Biological role: |
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| Physico-Chemical Properties - Experimental |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-9000000000-af3e7aec4f5bd9668683 | 2016-08-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-af3e7aec4f5bd9668683 | 2016-08-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-af3e7aec4f5bd9668683 | 2016-08-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-9000000000-3335fec4c3184739b75e | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-9000000000-3335fec4c3184739b75e | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-9000000000-3335fec4c3184739b75e | 2016-08-03 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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