Showing metabocard for Iodide (BMDB0012238)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesenzymes (4) Show 4 proteinsXML
Record Information
Version1.0
Creation Date2016-10-03 18:34:45 UTC
Update Date2020-04-22 15:49:13 UTC
BMDB IDBMDB0012238
Secondary Accession Numbers
  • BMDB12238
Metabolite Identification
Common NameIodide
DescriptionIodide, also known as iodide or iodide, 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. Iodide is possibly soluble (in water) and an extremely strong acidic compound (based on its pKa). Iodide exists in all living organisms, ranging from bacteria to humans. Iodide can be converted into iodide through its interaction with the enzyme sodium/iodide cotransporter. In cattle, iodide is involved in the metabolic pathway called thyroid hormone synthesis pathway.
Structure
Thumb
MOLSDFPDBSMILESInChI
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 Weight126.9045
Monoisotopic Molecular Weight126.90446842
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
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
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 FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0900000000-6dd6bb8e07c4fae8055bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-0900000000-6dd6bb8e07c4fae8055bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-0900000000-6dd6bb8e07c4fae8055bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-004a30645c893513e9edView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-004a30645c893513e9edView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-004a30645c893513e9edView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0900000000-0dba40d354fa6a5575e0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0900000000-0dba40d354fa6a5575e0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0900000000-0dba40d354fa6a5575e0View in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0012238
DrugBank IDDB12754
Phenol Explorer Compound IDNot Available
FooDB 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
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. Type II iodothyronine deiodinase
General function:
Involved in selenium binding
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:
Q5I3B2
Molecular weight:
30303.0
Enzyme Details
2. Thyroxine 5-deiodinase
General function:
Involved in selenium binding
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:
Q5I3B1
Molecular weight:
33888.0
Enzyme Details
3. Sodium iodide symporter
General function:
Not Available
Specific function:
Not Available
Gene Name:
Not Available
Uniprot ID:
B6ZBT4
Molecular weight:
7085.0
Enzyme Details
4. Truncated sodium iodide symporter
General function:
Involved in sodium:iodide symporter activity
Specific function:
Not Available
Gene Name:
Not Available
Uniprot ID:
B2CSJ0
Molecular weight:
7533.0