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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 | 2006-08-16 11:45:45 UTC |
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Update Date | 2020-10-09 21:00:05 UTC |
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HMDB ID | HMDB0000675 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Iodine |
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Description | Iodine is an essential trace element. Chemically, iodine is the least reactive of the halogens, and the most electropositive halogen after astatine. However, iodine does not occur in the free state in nature. As with all other halogens , when freed from its compounds iodine forms diatomic molecules (I2). Iodine and its compounds are primarily used in medicine, photography, and dyes. Iodine is required for the production of thyroid hormones, which are essential for normal brain development, and the fetus, newborn, and young child are particularly vulnerable to iodine deficiency. Physiologically, iodine exists as an ion in the body. The iodine requirement increases during pregnancy and recommended intakes are in the range of 220-250 microg/day. Monitoring iodine status during pregnancy is a challenge. New recommendations from World Health Organization suggest that a median urinary iodine concentration >250 microg/L and <500 microg/L indicates adequate iodine intake in pregnancy. Based on this range, it appears that many pregnant women in have inadequate intakes. Thyroid-stimulating hormone concentration in the newborn is a sensitive indicator of mild iodine deficiency in late pregnancy. The potential adverse effects of mild iodine deficiency during pregnancy are uncertain. Controlled trials of iodine supplementation in mildly iodine-deficient pregnant women suggest beneficial effects on maternal and newborn serum thyroglobulin and thyroid volume, but no effects on maternal and newborn total or free thyroid hormone concentrations. There are no long-term data on the effect of iodine supplementation on birth outcomes or infant development. New data from well-controlled studies indicate that iodine repletion in moderately iodine-deficient school-age children has clear benefits: it improves cognitive and motor function; it also increases concentrations of insulin-like growth factor 1 and insulin-like growth factor-binding protein 3, and improves somatic growth. (PMID: 17956157 ). |
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Structure | |
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Synonyms | Value | Source |
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I2 | ChEBI | Jod | ChEBI | Molecular iodine | ChEBI | Cadex | Kegg | Diiodine | Kegg | Iode | HMDB | Iodine-molecule | HMDB | Iodio | HMDB | Iodum | HMDB | Jood | HMDB | Tincture iodine | HMDB | Iodine 127 | HMDB | Iodine-127 | HMDB | Iodine | ChEBI |
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Chemical Formula | I2 |
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Average Molecular Weight | 253.8089 |
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Monoisotopic Molecular Weight | 253.80893684 |
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IUPAC Name | diiodine |
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Traditional Name | iodine |
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CAS Registry Number | 7553-56-2 |
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SMILES | II |
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InChI Identifier | InChI=1S/I2/c1-2 |
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InChI Key | PNDPGZBMCMUPRI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas. |
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Kingdom | Inorganic compounds |
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Super Class | Homogeneous non-metal compounds |
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Class | Homogeneous halogens |
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Sub Class | Not Available |
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Direct Parent | Homogeneous halogens |
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Alternative Parents | Not Available |
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Substituents | |
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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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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 113.6 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.33 mg/mL at 25 °C | Not Available | LogP | 2.49 | HANSCH,C ET AL. (1995) |
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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 GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0udi-0090000000-0b4eb980a6d80c2892dd | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0090000000-9f41876d0a547fca8258 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0090000000-9f41876d0a547fca8258 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0090000000-9f41876d0a547fca8258 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0090000000-776e7d808857b52aa594 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0090000000-776e7d808857b52aa594 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-0090000000-776e7d808857b52aa594 | Spectrum |
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Biological Properties |
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Cellular Locations | - Cytoplasm
- Membrane (predicted from logP)
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Biospecimen Locations | - Blood
- Cerebrospinal Fluid (CSF)
- Urine
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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 | 0.41 (0.25-0.57) uM | Adult (>18 years old) | Both | Normal | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 16.0 (0.0-32.0) uM | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 0.53(0.20 - 1.65) umol/mmol creatinine | Children (1-13 years old) | Both | Normal | | details | Urine | Detected and Quantified | 0.426 +/- 0.19 umol/mmol creatinine | Adolescent (13-18 years old) | Male | Normal | | details | Urine | Detected and Quantified | 0.37 +/- 0.20 umol/mmol creatinine | Adolescent (13-18 years old) | Female | Normal | | details | Urine | Detected and Quantified | 0.0239 umol/mmol creatinine | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 0.300 +/- 0.172 umol/mmol creatinine | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 0.0213 umol/mmol creatinine | Adult (>18 years old) | Female | Normal | | details | Urine | Detected and Quantified | 0.0239 umol/mmol creatinine | Adult (>18 years old) | Female | Normal | | details | Urine | Detected and Quantified | 0.0257 umol/mmol creatinine | Adult (>18 years old) | Female | Normal | | details | Urine | Detected and Quantified | 0.0302 umol/mmol creatinine | Adult (>18 years old) | Female | Normal | | details | Urine | Detected and Quantified | 0.031 umol/mmol creatinine | Adult (>18 years old) | Female | Normal | | details | Urine | Detected and Quantified | 0.0465 umol/mmol creatinine | Adult (>18 years old) | Female | Normal | | details | Urine | Detected and Quantified | 0.308 +/- 0.182 umol/mmol creatinine | Adult (>18 years old) | Female | Normal | | details | Urine | Detected and Quantified | 0.291 +/- 0.156 umol/mmol creatinine | Adult (>18 years old) | Male | Normal | | details |
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Abnormal Concentrations |
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Urine | Detected and Quantified | 0.0383 umol/mmol creatinine | Adult (>18 years old) | Female | Pregnancy | | details | Urine | Detected and Quantified | 0.057 umol/mmol creatinine | Adult (>18 years old) | Female | Pregnancy | | details |
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Associated Disorders and Diseases |
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Disease References | Pregnancy |
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- Brantsaeter AL, Haugen M, Julshamn K, Alexander J, Meltzer HM: Evaluation of urinary iodine excretion as a biomarker for intake of milk and dairy products in pregnant women in the Norwegian Mother and Child Cohort Study (MoBa). Eur J Clin Nutr. 2009 Mar;63(3):347-54. Epub 2007 Dec 5. [PubMed:18059417 ]
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | DB05382 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB003635 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 785 |
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KEGG Compound ID | C01382 |
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BioCyc ID | Not Available |
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BiGG ID | 37476 |
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Wikipedia Link | Iodine |
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METLIN ID | Not Available |
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PubChem Compound | 807 |
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PDB ID | Not Available |
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ChEBI ID | 17606 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | MDB00000214 |
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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 | - Rivkees SA: The treatment of Graves' disease in children. J Pediatr Endocrinol Metab. 2006 Sep;19(9):1095-111. [PubMed:17128557 ]
- Khan MN, Naqvi AH: Antiseptics, iodine, povidone iodine and traumatic wound cleansing. J Tissue Viability. 2006 Nov;16(4):6-10. [PubMed:17153117 ]
- Kotwal A, Priya R, Qadeer I: Goiter and other iodine deficiency disorders: A systematic review of epidemiological studies to deconstruct the complex web. Arch Med Res. 2007 Jan;38(1):1-14. [PubMed:17174717 ]
- Zimmermann MB: The adverse effects of mild-to-moderate iodine deficiency during pregnancy and childhood: a review. Thyroid. 2007 Sep;17(9):829-35. [PubMed:17956157 ]
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