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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-10-30 10:32:48 UTC
Update Date2022-03-07 03:17:34 UTC
HMDB IDHMDB0059634
Secondary Accession Numbers
  • HMDB59634
Metabolite Identification
Common NameI(-)
DescriptionI(-), also known as [HI] or hydriodic acid, 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. I(-) is an extremely strong acidic compound (based on its pKa). I(-) exists in all living organisms, ranging from bacteria to humans. A diatomic molecule containing covalently bonded hydrogen and iodine atoms.
Structure
Data?1563865958
Synonyms
ValueSource
[HI]ChEBI
HIChEBI
Hydriodic acidChEBI
HydrogeniodidChEBI
Hydroiodic acidChEBI
Iodure d'hydrogeneChEBI
IodwasserstoffChEBI
JodwasserstoffChEBI
WasserstoffiodidChEBI
Hydrogen iodideKegg
HydriodateGenerator
HydroiodateGenerator
Chemical FormulaHI
Average Molecular Weight127.9124
Monoisotopic Molecular Weight127.912293452
IUPAC Namehydrogen iodide
Traditional Namehydrogen iodide
CAS Registry NumberNot Available
SMILES
I
InChI Identifier
InChI=1S/HI/h1H
InChI KeyXMBWDFGMSWQBCA-UHFFFAOYSA-N
Chemical Taxonomy
Description 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.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHalogen organides
Sub ClassHalogen hydrides
Direct ParentHalogen hydrides
Alternative Parents
Substituents
  • Halogen hydride
  • Inorganic hydride
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP1.02ChemAxon
pKa (Strongest Acidic)-9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity14.75 m³·mol⁻¹ChemAxon
Polarizability5.53 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
I(-)I931.6Standard polar33892256
I(-)I395.5Standard non polar33892256
I(-)I269.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - I(-) GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-0900000000-18a0acb06729633fba192017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - I(-) GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 10V, Positive-QTOFsplash10-004i-0900000000-f0249ef9ae57c84380cb2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 20V, Positive-QTOFsplash10-004i-0900000000-f0249ef9ae57c84380cb2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 40V, Positive-QTOFsplash10-004i-0900000000-f0249ef9ae57c84380cb2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 10V, Negative-QTOFsplash10-004i-0900000000-c7ba9a89ddfa0dea3bad2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 20V, Negative-QTOFsplash10-004i-0900000000-c7ba9a89ddfa0dea3bad2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 40V, Negative-QTOFsplash10-004i-0900000000-c7ba9a89ddfa0dea3bad2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 10V, Negative-QTOFsplash10-004i-0900000000-0dba40d354fa6a5575e02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 20V, Negative-QTOFsplash10-004i-0900000000-0dba40d354fa6a5575e02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 40V, Negative-QTOFsplash10-004i-0900000000-0dba40d354fa6a5575e02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 10V, Positive-QTOFsplash10-004i-0900000000-d283509c8d620fb492d52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 20V, Positive-QTOFsplash10-004i-0900000000-d283509c8d620fb492d52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - I(-) 40V, Positive-QTOFsplash10-004i-0900000000-d283509c8d620fb492d52021-09-22Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC05590
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound24841
PDB IDNot Available
ChEBI ID43451
Food Biomarker OntologyNot Available
VMH IDM02146
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

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
Reactions
I(-) + Hydrogen peroxide + Hydrogen Ion → Iodine + Waterdetails
[Thyroglobulin]-L-tyrosine + I(-) + Hydrogen peroxide → [thyroglobulin]-3-iodo-L-tyrosine + Waterdetails
[Thyroglobulin]-3-iodo-L-tyrosine + I(-) + Hydrogen peroxide → [thyroglobulin]-3,5-diiodo-L-tyrosine + Waterdetails
I(-) + Iodotyrosine → Iodine + L-Tyrosinedetails
I(-) + 3,5-Diiodo-L-tyrosine → Iodotyrosine + Iodinedetails
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
Reactions
Liothyronine + I(-) + A + Hydrogen Ion → Thyroxine + AH(2)details
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
Reactions
Liothyronine + I(-) + A + Hydrogen Ion → Thyroxine + AH(2)details
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
Reactions
L-Tyrosine + NADP + I(-) → 3,5-Diiodo-L-tyrosine + NADPHdetails
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
Reactions
Liothyronine + I(-) + A + Hydrogen Ion → Thyroxine + AH(2)details