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Record Information |
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Version | 4.0 |
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Status | Detected and Quantified |
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Creation Date | 2012-09-06 15:16:52 UTC |
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Update Date | 2020-05-06 17:58:25 UTC |
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HMDB ID | HMDB0015531 |
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Secondary Accession Numbers | - HMDB0012943
- HMDB12943
- HMDB15531
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Metabolite Identification |
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Common Name | Iron |
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Description | Iron is a metallic element found in certain minerals, in nearly all soils, and in mineral waters. Iron is required for life. It exists in all living species, ranging from bacteria to humans. It can be found primarily in blood and it is an essential constituent of hemoglobin, cytochrome, and other components of respiratory enzyme systems. Its chief functions are in the transport of oxygen to tissue (hemoglobin) and in cellular oxidation mechanisms. Depletion of iron stores may result in iron-deficiency anemia. Iron is used to build up the blood in anemia. In humans, iron is involved in several metabolic pathways, some of which include the rofecoxib pathway, magnesium salicylate action pathway, etodolac pathway, and diclofenac 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. The major activity of supplemental iron is in the prevention and treatment of iron-deficiency anemia. Iron has putative immune-enhancing, anticarcinogenic, and cognition-enhancing activities. Iron can be found in a number of food items such as chinese water chestnut, hyssop, daikon radish, and peppermint, which makes it a potential biomarker for the consumption of these food products. |
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Structure | |
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Synonyms | Value | Source |
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FE (III) ion | ChEBI | Fe(III) | ChEBI | Fe(3+) | ChEBI | Ferric ion | ChEBI | Ferric iron | ChEBI | Iron, ion (fe(3+)) | ChEBI | Iron(3+) | Kegg |
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Chemical Formula | Fe |
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Average Molecular Weight | 55.845 |
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Monoisotopic Molecular Weight | 55.934942133 |
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IUPAC Name | iron(3+) ion |
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Traditional Name | iron(3+) ion |
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CAS Registry Number | 7439-89-6 |
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SMILES | [Fe+3] |
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InChI Identifier | InChI=1S/Fe/q+3 |
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InChI Key | VTLYFUHAOXGGBS-UHFFFAOYSA-N |
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Chemical Taxonomy |
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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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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 1538 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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Spectra |
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| Spectrum Type | Description | Splash Key | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-9000000000-af3e7aec4f5bd9668683 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-af3e7aec4f5bd9668683 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-af3e7aec4f5bd9668683 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-9000000000-3335fec4c3184739b75e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-9000000000-3335fec4c3184739b75e | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-9000000000-3335fec4c3184739b75e | Spectrum |
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Biological Properties |
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Cellular Locations | Not Available |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Blood | Detected and Quantified | 16.7 +/- 6.0 uM | Adult (>18 years old) | Both | Normal | | details | Blood | Detected and Quantified | 10.744-26.860 uM | Adult (>18 years old) | Not Specified | Normal | | details | Blood | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB01592 | | details | Blood | Detected and Quantified | 2.87-22.92 uM | Children (0 - <14 years old) | Both | Normal | | details | Blood | Detected and Quantified | 3.58-29.009 uM | Adolescent (14 - <19 years old | Female | Normal | | details | Blood | Detected and Quantified | 5.55-30.083 uM | Adolescent (14 - <19 years old | Male | Normal | | details | Blood | Detected and Quantified | 9.00-30.0 uM | Adult (>18 years old) | Female | Normal | | details | Blood | Detected and Quantified | 12.0-32.0 uM | Adult (>18 years old) | Male | Normal | | details | Blood | Detected and Quantified | 16.653 (2.686-40.290) uM | Adult (>18 years old) | Female | Normal | | details | Blood | Detected and Quantified | 19.339 (3.760-41.364) uM | Adult (>18 years old) | Male | Normal | | details | Urine | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB01592 | | details | Urine | Detected and Quantified | 0.36 (0.018-0.83) umol/mmol creatinine | Newborn (0-30 days old) | Both | Normal | | details |
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Abnormal Concentrations |
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Blood | Detected and Quantified | 15.1 +/- 6.6 uM | Adult (>18 years old) | Both | Erythropoietic protoporphyria | | details | Blood | Detected and Quantified | 5.551-6.625 uM | Adult (>18 years old) | Female | Aceruloplasminemia | | details | Blood | Detected and Quantified | 25.4 uM | Adult (>18 years old) | Female | Lecithin:cholesterol Acyltransferase Deficiency | | details | Blood | Detected and Quantified | 22.204 (7.521-44.0505) uM | Adult (>18 years old) | Male | Hemochromatosis, type 1 | | details | Blood | Detected and Quantified | 18.444 (1.0744-42.976) uM | Adult (>18 years old) | Female | Hemochromatosis, type 1 | | details |
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Associated Disorders and Diseases |
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Disease References | Aceruloplasminemia |
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- Roberti Mdo R, Borges Filho HM, Goncalves CH, Lima FL: Aceruloplasminemia: a rare disease - diagnosis and treatment of two cases. Rev Bras Hematol Hemoter. 2011;33(5):389-92. doi: 10.5581/1516-8484.20110104. [PubMed:23049345 ]
| Hemochromatosis, type 1 |
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- Bulaj ZJ, Griffen LM, Jorde LB, Edwards CQ, Kushner JP: Clinical and biochemical abnormalities in people heterozygous for hemochromatosis. N Engl J Med. 1996 Dec 12;335(24):1799-805. doi: 10.1056/NEJM199612123352403. [PubMed:8943161 ]
| Erythropoietic protoporphyria |
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- Cole DE, Farag S, Dooley KC: Ethanolaminuria: a non-specific laboratory finding in the seriously ill infant. Clin Biochem. 1988 Oct;21(5):297-300. [PubMed:3233740 ]
| Lecithin:cholesterol Acyltransferase Deficiency |
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- Idzior-Walus B, Sieradzki J, Kostner G, Malecki MT, Klupa T, Wesolowska T, Rostworowski W, Hartwich J, Walus M, Kiec AD, Naruszewicz M: Familial lecithin-cholesterol acyltransferase deficiency: biochemical characteristics and molecular analysis of a new LCAT mutation in a Polish family. Atherosclerosis. 2006 Apr;185(2):413-20. Epub 2005 Jul 26. [PubMed:16051254 ]
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Associated OMIM IDs | - 604290 (Aceruloplasminemia)
- 235200 (Hemochromatosis, type 1)
- 177000 (Erythropoietic protoporphyria)
- 245900 (Lecithin:cholesterol Acyltransferase Deficiency)
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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 | FDB029221 |
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KNApSAcK ID | Not Available |
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Chemspider ID | Not Available |
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KEGG Compound ID | C14819 |
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BioCyc ID | FE%2b3 |
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BiGG ID | Not Available |
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Wikipedia Link | Iron(III) |
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METLIN ID | Not Available |
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PubChem Compound | 29936 |
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PDB ID | Not Available |
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ChEBI ID | 29034 |
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Food Biomarker Ontology | Not Available |
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VMH ID | FE3 |
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MarkerDB ID | |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Download (PDF) |
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General References | Not Available |
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