Record Information
Version1.0
Created at2020-04-17 19:00:55 UTC
Updated at2020-11-18 16:39:13 UTC
CannabisDB IDCDB005018
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameIodide
DescriptionIodide, also known as iodide ion or iodide salt, 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. In fact, iodides are greatly present and available in the sea, where algal phytoplankton, the basis of marine food-chain, acts as a biological accumulator of iodides, selenium, (and n-3 fatty acids) :; Antioxidant biochemical mechanism of iodides, probably one of the most ancient mechanisms of defense from poisonous reactive oxygen species:; An Iodide is an iodine atom with a -1 charge. The chemical test for an iodide compound is to acidify the aqueous compound by adding some drops of acid, to dispel any carbonate ions present, then adding lead(II) nitrate, yielding a bright yellow precipitate of lead iodide. Iodide can function as an antioxidant as it is a reducing species that can detoxify reactive oxygen species such as hydrogen peroxide. Iodide is an extremely strong acidic compound (based on its pKa). Iodide exists in all living organisms, ranging from bacteria to humans. Algae that contain the highest amount of iodine (1-3 % of dry weight) and peroxidase enzymes, were the first living cells to produce poisonous oxygen in the atmosphere. Aqueous solutions of iodide dissolve iodine better than pure water due to the formation of complex ions:. iodide can be converted into iodide; which is catalyzed by the enzyme sodium/iodide cotransporter. In humans, iodide is involved in thyroid hormone synthesis. Outside of the human body, Iodide has been detected, but not quantified in, several different foods, such as lupines, strawberries, moth beans, asian pears, and swedes. This could make iodide a potential biomarker for the consumption of these foods. Compounds with iodine in formal oxidation state -1 are called iodides. Most ionic iodides are soluble, with the exception of yellow silver iodide and yellow lead iodide. Over three billion years ago, blue-green algae were the most primitive oxygenic photosynthetic organisms and are the ancestors of multicellular eukaryotic algae (1). Iodide is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
Synonyms
ValueSource
I(-)ChEBI
IODIDE ionChEBI
Iodine anionChEBI
Iodide anionHMDB
Iodide saltHMDB
Iodide(1-)HMDB
IodinaneHMDB
Iodine ionHMDB
Lambda(3)-iodaneHMDB
TrihydridoiodineHMDB
IodolipolMeSH
Oils, iodizedMeSH
Oil, iodizedMeSH
Iodized oilMeSH
Iodized oilsMeSH
Chemical FormulaI
Average Molecular Weight126.9
Monoisotopic Molecular Weight126.9045
IUPAC Nameiodide
Traditional Nameiodide
CAS Registry Number20461-54-5
SMILES
[I-]
InChI Identifier
InChI=1S/HI/h1H/p-1
InChI KeyXMBWDFGMSWQBCA-UHFFFAOYSA-M
Chemical Taxonomy
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.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous halogens
Sub ClassNot Available
Direct ParentHomogeneous halogens
Alternative ParentsNot Available
Substituents
  • Homogeneous halogen
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Route of exposure:

Biological location:

Source:

Role

Industrial application:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP1.02ChemAxon
pKa (Strongest Acidic)-9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.95 m³·mol⁻¹ChemAxon
Polarizability5.07 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0900000000-6dd6bb8e07c4fae8055b2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-0900000000-6dd6bb8e07c4fae8055b2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-0900000000-6dd6bb8e07c4fae8055b2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-004a30645c893513e9ed2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-004a30645c893513e9ed2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-004a30645c893513e9ed2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-0dba40d354fa6a5575e02021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-0dba40d354fa6a5575e02021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-0dba40d354fa6a5575e02021-09-23View Spectrum
NMRNot Available
Pathways
Pathways
Protein Targets
Enzymes
Protein NameGene NameLocusUniprot IDDetails
Thyroid peroxidaseTPO2p25P07202 details
Type I iodothyronine deiodinaseDIO11p33-p32P49895 details
Type II iodothyronine deiodinaseDIO214q24.2-q24.3Q92813 details
Iodotyrosine dehalogenase 1IYD6q25.1Q6PHW0 details
Type III iodothyronine deiodinaseDIO314q32P55073 details
TransportersNot Available
Metal Bindings
Protein NameGene NameLocusUniprot IDDetails
Thyroid peroxidaseTPO2p25P07202 details
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0012238
DrugBank IDDB12754
Phenol Explorer Compound IDNot Available
FoodDB IDFDB028881
KNApSAcK IDC00046784
Chemspider ID28015
KEGG Compound IDC00708
BioCyc IDCPD-387
BiGG ID35753
Wikipedia LinkIodide
METLIN IDNot Available
PubChem Compound30165
PDB IDIOD
ChEBI ID16382
References
General ReferencesNot Available

Enzymes

General function:
Involved in calcium ion binding
Specific function:
Iodination and coupling of the hormonogenic tyrosines in thyroglobulin to yield the thyroid hormones T(3) and T(4).
Gene Name:
TPO
Uniprot ID:
P07202
Molecular weight:
102961.63
General function:
Involved in thyroxine 5'-deiodinase activity
Specific function:
Responsible for the deiodination of T4 (3,5,3',5'-tetraiodothyronine) into T3 (3,5,3'-triiodothyronine) and of T3 into T2 (3,3'-diiodothyronine). Plays a role in providing a source of plasma T3 by deiodination of T4 in peripheral tissues such as liver and kidney.
Gene Name:
DIO1
Uniprot ID:
P49895
Molecular weight:
28924.21
General function:
Involved in thyroxine 5'-deiodinase activity
Specific function:
Responsible for the deiodination of T4 (3,5,3',5'-tetraiodothyronine) into T3 (3,5,3'-triiodothyronine). Essential for providing the brain with appropriate levels of T3 during the critical period of development.
Gene Name:
DIO2
Uniprot ID:
Q92813
Molecular weight:
30551.48
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the oxidative NADPH-dependent deiodination of monoiodotyrosine (L-MIT) or diiodotyrosine (L-DIT). Acts during the hydrolysis of thyroglobulin to liberate iodide, which can then reenter the hormone-producing pathways. Acts more efficiently on monoiodotyrosine than on diiodotyrosine.
Gene Name:
IYD
Uniprot ID:
Q6PHW0
Molecular weight:
33781.22
General function:
Involved in thyroxine 5'-deiodinase activity
Specific function:
Responsible for the deiodination of T4 (3,5,3',5'-tetraiodothyronine) into RT3 (3,3',5'-triiodothyronine) and of T3 (3,5,3'-triiodothyronine) into T2 (3,3'-diiodothyronine). RT3 and T2 are inactive metabolites. May play a role in preventing premature exposure of developing fetal tissues to adult levels of thyroid hormones. Can regulate circulating fetal thyroid hormone concentrations throughout gestation. Essential role for regulation of thyroid hormone inactivation during embryological development.
Gene Name:
DIO3
Uniprot ID:
P55073
Molecular weight:
33947.175