Iodine
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Basic Info
| Common Name | Iodine(F04872) |
| 2D Structure | |
| 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. (A7846). |
| FRCD ID | F04872 |
| CAS Number | 7553-56-2 |
| PubChem CID | 807 |
| Formula | I2 |
| IUPAC Name | molecular iodine |
| InChI Key | PNDPGZBMCMUPRI-UHFFFAOYSA-N |
| InChI | InChI=1S/I2/c1-2 |
| Canonical SMILES | II |
| Isomeric SMILES | II |
| Wikipedia | Iodine |
| Synonyms |
Iodine
7553-56-2
Molecular iodine
Diiodine
Iodine crystals
Iodine sublimed
Tincture iodine
Vistarin
Eranol
Iodio
|
| Classifies |
Predicted: Pollutant
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Homogeneous non-metal compounds |
| Class | Homogeneous halogens |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Homogeneous halogens |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Homogeneous halogen |
| Description | This compound 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. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 253.809 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 0 |
| Monoisotopic Mass | 253.809 |
| Exact Mass | 253.809 |
| XLogP | 1.7 |
| Formal Charge | 0 |
| Heavy Atom Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9786 |
| Human Intestinal Absorption | HIA+ | 0.9789 |
| Caco-2 Permeability | Caco2+ | 0.6632 |
| P-glycoprotein Substrate | Non-substrate | 0.8984 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9714 |
| Non-inhibitor | 0.9923 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9210 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.4849 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8498 |
| CYP450 2D6 Substrate | Non-substrate | 0.7906 |
| CYP450 3A4 Substrate | Non-substrate | 0.7855 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.6150 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8120 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.8992 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8566 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9008 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8954 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9452 |
| Non-inhibitor | 0.9710 | |
| AMES Toxicity | Non AMES toxic | 0.8029 |
| Carcinogens | Carcinogens | 0.7427 |
| Fish Toxicity | High FHMT | 0.5399 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.7649 |
| Honey Bee Toxicity | High HBT | 0.8218 |
| Biodegradation | Not ready biodegradable | 0.7303 |
| Acute Oral Toxicity | II | 0.4901 |
| Carcinogenicity (Three-class) | Non-required | 0.5481 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -2.0560 | LogS |
| Caco-2 Permeability | 1.5452 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 3.0004 | LD50, mol/kg |
| Fish Toxicity | 0.3763 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.3688 | pIGC50, ug/L |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Development, validation and application of an ICP-MS/MS method to quantify minerals and (ultra-)trace elements in human serum. | J Trace Elem Med Biol | 2018 Sep | 29895367 |
| Thyrotoxicosis after iodine fortification. A 21-year Danish population-based study. | Clin Endocrinol (Oxf) | 2018 Sep | 29851122 |
| Validation of a dilute and shoot method for quantification of 12 elements byinductively coupled plasma tandem mass spectrometry in human milk and in cow milkpreparations. | J Trace Elem Med Biol | 2018 Sep | 29895368 |
| Effects of gamma irradiation on aflatoxin B1 levels in soybean and on theproperties of soybean and soybean oil. | Appl Radiat Isot | 2018 Sep | 29852404 |
| Oral bioaccessibility of toxic and essential elements in raw and cooked commercial seafood species available in European markets. | Food Chem | 2018 Nov 30 | 29934150 |
| Organic iodine supply affects tomato plants differently than inorganic iodine. | Physiol Plant | 2018 Nov | 29572860 |
| Oxidation of iopamidol with ferrate (Fe(VI)): Kinetics and formation of toxic iodinated disinfection by-products. | Water Res | 2018 Mar 1 | 29223090 |
| Status and interrelationship of toenail elements in Pacific children. | J Trace Elem Med Biol | 2018 Mar | 29413098 |
| Update on dietary intake of perchlorate and iodine from U.S. food and drug administration's total diet study: 2008-2012. | J Expo Sci Environ Epidemiol | 2018 Jan | 28000685 |
| Thyroglobulin level at week 16 of pregnancy is superior to urinary iodineconcentration in revealing preconceptual and first trimester iodine supply. | Matern Child Nutr | 2018 Jan | 28593684 |
| Interrelationship between iodine nutritional status of lactating mothers andtheir absolutely breast-fed infants in coastal districts of Gangetic West Bengal in India. | Eur J Pediatr | 2018 Jan | 29063209 |
| The role of sulfate-reducing prokaryotes in the coupling of element biogeochemical cycling. | Sci Total Environ | 2018 Feb 1 | 28918271 |
| Development of a kelp powder (Thallus laminariae) Standard Reference Material. | Anal Bioanal Chem | 2018 Feb | 29222652 |
| Nutrients intake, and serum calcium and phosphorus levels: An evidence-basedstudy. | J Clin Lab Anal | 2018 Feb | 29112279 |
| Nutritional and Environmental Factors in Thyroid Carcinogenesis. | Int J Environ Res Public Health | 2018 Aug 13 | 30104523 |
| An I2-mediated aerobic oxidative annulation of amidines with tertiary amines via C-H amination/C-N cleavage for the synthesis of 2,4-disubstituted1,3,5-triazines. | Org Biomol Chem | 2018 Apr 18 | 29610816 |
| Biomonitoring Equivalents for interpretation of urinary iodine. | Regul Toxicol Pharmacol | 2018 Apr | 29360482 |
| Preliminary Evidences of Biofortification with Iodine of "Carota di Polignano", An Italian Carrot Landrace. | Front Plant Sci | 2018 | 29497433 |
| Estimated dietary iodine intake as a predictor of placental size: evidence from the ELSPAC study. | Nutr Metab (Lond) | 2018 | 29375646 |
| [Recent Trends of Trace Element Studies in Clinical Medicine in Japan]. | Nihon Eiseigaku Zasshi | 2018 | 29386451 |
Targets
- General Function:
- Protein heterodimerization activity
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling (PubMed:15385642). Down-stream signaling cascades mediate changes in gene expression patterns and lead to increased IL6 production. Functions in signaling cascades downstream of the muscarinic acetylcholine receptors (By similarity).
- Gene Name:
- ADCY2
- Uniprot ID:
- Q08462
- Molecular Weight:
- 123602.25 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling. Mediates responses to increased cellular Ca(2+)/calmodulin levels (By similarity). May be involved in regulatory processes in the central nervous system. May play a role in memory and learning. Plays a role in the regulation of the circadian rhythm of daytime contrast sensitivity probably by modulating the rhythmic synthesis of cyclic AMP in the retina (By similarity).
- Gene Name:
- ADCY1
- Uniprot ID:
- Q08828
- Molecular Weight:
- 123438.85 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Manganese ion binding
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP (PubMed:12609998, PubMed:15659711, PubMed:24616449, PubMed:25040695, PubMed:24567411). May function as sensor that mediates responses to changes in cellular bicarbonate and CO(2) levels (PubMed:15659711, PubMed:17591988). Has a critical role in mammalian spermatogenesis by producing the cAMP which regulates cAMP-responsive nuclear factors indispensable for sperm maturation in the epididymis. Induces capacitation, the maturational process that sperm undergo prior to fertilization (By similarity). Involved in ciliary beat regulation (PubMed:17591988).
- Gene Name:
- ADCY10
- Uniprot ID:
- Q96PN6
- Molecular Weight:
- 187147.545 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- This is a membrane-bound, calcium-inhibitable adenylyl cyclase.
- Gene Name:
- ADCY7
- Uniprot ID:
- P51828
- Molecular Weight:
- 120307.175 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- This is a membrane-bound, calcium-stimulable adenylyl cyclase. May be involved in learning, in memory and in drug dependence (By similarity).
- Gene Name:
- ADCY8
- Uniprot ID:
- P40145
- Molecular Weight:
- 140120.79 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- Adenylyl cyclase that catalyzes the formation of the signaling molecule cAMP in response to activation of G protein-coupled receptors (PubMed:9628827, PubMed:12972952, PubMed:15879435, PubMed:10987815). Contributes to signaling cascades activated by CRH (corticotropin-releasing factor), corticosteroids and beta-adrenergic receptors (PubMed:9628827).
- Gene Name:
- ADCY9
- Uniprot ID:
- O60503
- Molecular Weight:
- 150699.36 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling. Participates in signaling cascades triggered by odorant receptors via its function in cAMP biosynthesis. Required for the perception of odorants. Required for normal sperm motility and normal male fertility. Plays a role in regulating insulin levels and body fat accumulation in response to a high fat diet.
- Gene Name:
- ADCY3
- Uniprot ID:
- O60266
- Molecular Weight:
- 128958.905 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Metal ion binding
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling.
- Gene Name:
- ADCY4
- Uniprot ID:
- Q8NFM4
- Molecular Weight:
- 119792.94 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Protein heterodimerization activity
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling (PubMed:15385642, PubMed:26206488, PubMed:24700542). Mediates signaling downstream of ADRB1 (PubMed:24700542). Regulates the increase of free cytosolic Ca(2+) in response to increased blood glucose levels and contributes to the regulation of Ca(2+)-dependent insulin secretion (PubMed:24740569).
- Gene Name:
- ADCY5
- Uniprot ID:
- O95622
- Molecular Weight:
- 138906.37 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.
- General Function:
- Protein kinase binding
- Specific Function:
- Catalyzes the formation of the signaling molecule cAMP downstream of G protein-coupled receptors (PubMed:17916776, PubMed:17110384). Functions in signaling cascades downstream of beta-adrenergic receptors in the heart and in vascular smooth muscle cells (PubMed:17916776). Functions in signaling cascades downstream of the vasopressin receptor in the kidney and has a role in renal water reabsorption. Functions in signaling cascades downstream of PTH1R and plays a role in regulating renal phosphate excretion. Functions in signaling cascades downstream of the VIP and SCT receptors in pancreas and contributes to the regulation of pancreatic amylase and fluid secretion (By similarity). Signaling mediates cAMP-dependent activation of protein kinase PKA. This promotes increased phosphorylation of various proteins, including AKT. Plays a role in regulating cardiac sarcoplasmic reticulum Ca(2+) uptake and storage, and is required for normal heart ventricular contractibility. May contribute to normal heart function (By similarity). Mediates vasodilatation after activation of beta-adrenergic receptors by isoproterenol (PubMed:17916776). Contributes to bone cell responses to mechanical stimuli (By similarity).
- Gene Name:
- ADCY6
- Uniprot ID:
- O43306
- Molecular Weight:
- 130614.095 Da
- Mechanism of Action:
- Iodide inhibits adenylate cyclase in thyroid gland follicle cells and decreases the TSH-induced rise in intracellular cAMP. This results in decreased iodination of thyroglobulin and inhibited production and release of T4 and T3, causing hypothyroidism.
References
- Emsley, John (2001). Nature's Building Blocks: An A-Z Guide to the Elements. Oxford: Oxford University Press.