You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version4.0
Creation Date2009-04-06 16:21:33 UTC
Update Date2017-09-27 08:26:56 UTC
HMDB IDHMDB0012238
Secondary Accession Numbers
  • HMDB12238
Metabolite Identification
Common NameIodide
DescriptionIodide can function as an antioxidant as it is a reducing species that can detoxify reactive oxygen species such as hydrogen peroxide. Over three billion years ago, blue-green algae were the most primitive oxygenic photosynthetic organisms and are the ancestors of multicellular eukaryotic algae (1). 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. Therefore algal cells required a protective antioxidant action of their molecular components, in which iodides, through peroxidase enzymes, seem to have had this specific role. 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 ion is an iodine atom with a -1 charge. Compounds with iodine in formal oxidation state -1 are called iodides. This can include ionic compounds such as caesium iodide or covalent compounds such as phosphorus triiodide. This is the same naming scheme as is seen with chlorides and bromides. 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. Most ionic iodides are soluble, with the exception of yellow silver iodide and yellow lead iodide. Aqueous solutions of iodide dissolve iodine better than pure water due to the formation of complex ions:.
Structure
Thumb
Synonyms
ValueSource
I(-)ChEBI
IODIDE ionChEBI
Iodine anionChEBI
Iodide anionHMDB
Iodide saltHMDB
Iodide(1-)HMDB
IodinaneHMDB
Iodine ionHMDB
Lambda(3)-iodaneHMDB
TrihydridoiodineHMDB
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
DescriptionThis compound belongs to the class of chemical entities known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.
KingdomChemical entities
Super ClassInorganic compounds
ClassHomogeneous non-metal compounds
Sub ClassHomogeneous halogens
Direct ParentHomogeneous halogens
Alternative ParentsNot Available
Substituents
  • Homogeneous halogen
Molecular FrameworkNot Available
External Descriptors
Ontology
Process

Naturally occurring process:

  Biological process:

    Biochemical pathway:

Disposition

Biological Location:

  Biofluid and excreta:

Source:

Role

Industrial application:

  Pharmaceutical industry:

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
Bioavailability1ChemAxon
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
Biological Properties
Cellular LocationsNot Available
Biofluid Locations
  • Blood
  • Urine
Tissue LocationNot Available
Pathways
NameSMPDB/PathwhizKEGG
Thyroid hormone synthesisPw000693Pw000693 greyscalePw000693 simpleNot Available
Displaying 1 entry
Normal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
BloodExpected but not Quantified Not AvailableNot Available
Normal
    details
    UrineDetected and Quantified0.53 (0.20-1.65) umol/mmol creatinineChildren (1-13 years old)BothNormal
      • Geigy Scientific ...
    details
    UrineDetected and Quantified0.42 +/- 0.189 umol/mmol creatinineAdolescent (13-18 years old)MaleNormal
      • Geigy Scientific ...
    details
    UrineDetected and Quantified0.36 +/- 0.199 umol/mmol creatinineAdolescent (13-18 years old)FemaleNormal
      • Geigy Scientific ...
    details
    Abnormal Concentrations
    Not Available
    Associated Disorders and Diseases
    Disease ReferencesNone
    Associated OMIM IDsNone
    DrugBank IDNot Available
    DrugBank Metabolite IDNot Available
    Phenol Explorer Compound IDNot Available
    Phenol Explorer Metabolite IDNot Available
    FoodDB IDFDB028881
    KNApSAcK IDNot Available
    Chemspider ID28015
    KEGG Compound IDC00708
    BioCyc IDCPD-387
    BiGG ID35753
    Wikipedia LinkNot Available
    METLIN IDNot Available
    PubChem Compound30165
    PDB IDIOD
    ChEBI ID16382
    References
    Synthesis ReferenceNot Available
    Material Safety Data Sheet (MSDS)Download (PDF)
    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