Iodine-129
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Basic Info
| Common Name | Iodine-129(F03382) |
| 2D Structure | |
| Description | Iodine is a chemical element that has the symbol I and atomic number 53. Chemically, iodine is the second least reactive of the halogens, and the second most electropositive halogen; trailing behind astatine in both of these categories. However, the element does not occur in the free state in nature. As with all other halogens, when freed from its compounds iodine forms diatomic molecules. Iodine naturally occurs in the environment chiefly as a dissolved iodide in seawater, although it is also found in some minerals and soils. Iodine is an essential trace element for life, mainly as constituents of the thyroid hormones, thyroxine (T4) and triiodothyronine (T3). Iodine-129 is used for a variety of dating applications, including groundwater age dating and meteorite age dating. (L1845, L1847) |
| FRCD ID | F03382 |
| CAS Number | 15046-84-1 |
| PubChem CID | 6433622 |
| Formula | HI |
| IUPAC Name | iodane |
| InChI Key | XMBWDFGMSWQBCA-NJFSPNSNSA-N |
| InChI | InChI=1S/HI/h1H/i1+2 |
| Canonical SMILES | I |
| Isomeric SMILES | [129IH] |
| Synonyms |
Iodine, isotope of mass 129
Iodine-129
UNII-T2U7PHQ675
T2U7PHQ675
Iodine I-129
iodine-129 atom
129I
AC1O5GIY
CHEBI:52636
Iodine, isotope of mass 129, at.
|
| Classifies |
Pollutant
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Homogeneous non-metal compounds |
| Class | Halogen organides |
| Subclass | Halogen hydrides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halogen hydrides |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Halogen hydride - Inorganic hydride |
| Description | This compound belongs to the class of inorganic compounds known as halogen hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 129.913 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 0 |
| Monoisotopic Mass | 129.913 |
| Exact Mass | 129.913 |
| XLogP | 0.9 |
| Formal Charge | 0 |
| Heavy Atom Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 1 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9751 |
| Human Intestinal Absorption | HIA+ | 0.9744 |
| Caco-2 Permeability | Caco2+ | 0.7241 |
| P-glycoprotein Substrate | Non-substrate | 0.8975 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9772 |
| Non-inhibitor | 0.9859 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9203 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.5448 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8261 |
| CYP450 2D6 Substrate | Non-substrate | 0.7730 |
| CYP450 3A4 Substrate | Non-substrate | 0.7992 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.7075 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8930 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9469 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9148 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9497 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8908 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9609 |
| Non-inhibitor | 0.9715 | |
| AMES Toxicity | Non AMES toxic | 0.6195 |
| Carcinogens | Carcinogens | 0.7126 |
| Fish Toxicity | Low FHMT | 0.5549 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.7847 |
| Honey Bee Toxicity | High HBT | 0.8366 |
| Biodegradation | Not ready biodegradable | 0.8303 |
| Acute Oral Toxicity | II | 0.7449 |
| Carcinogenicity (Three-class) | Non-required | 0.5497 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.9124 | LogS |
| Caco-2 Permeability | 1.6039 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.9992 | LD50, mol/kg |
| Fish Toxicity | 0.4048 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.4991 | pIGC50, ug/L |
Targets
- 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:
- 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. 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:
- 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:
- 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:
- 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.