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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 14:17:35 UTC
Update Date2020-02-26 21:23:47 UTC
HMDB IDHMDB0002077
Secondary Accession Numbers
  • HMDB02077
Metabolite Identification
Common NameChlorite
DescriptionChlorite, also known as dioxidochlorate or sodium chlorite, belongs to the class of inorganic compounds known as other non-metal halides. These are inorganic compounds containing 'other non-metals' and halogen. Based on a literature review a significant number of articles have been published on Chlorite.
Structure
Data?1582752227
Synonyms
ValueSource
[ClO2](-)HMDB
ClO2(-)HMDB
DioxidochlorateHMDB
Sodium chloriteHMDB
Chemical FormulaClH2O2
Average Molecular Weight69.46
Monoisotopic Molecular Weight68.9737834
IUPAC Namedihydroxychloranium
Traditional Namedihydroxychloranium
CAS Registry Number14998-27-7
SMILES
O[Cl+]O
InChI Identifier
InChI=1S/ClH2O2/c2-1-3/h2-3H/q+1
InChI KeyGOROLYBFNQBLDF-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as other non-metal halides. These are inorganic compounds containing 'other non-metals' and halogen.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal halides
Sub ClassNot Available
Direct ParentOther non-metal halides
Alternative ParentsNot Available
Substituents
  • Other non-metal halide
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
Disposition

Source:

Role

Biological role:

Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point18 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.39ALOGPS
logP0.095ChemAxon
logS0.74ALOGPS
pKa (Strongest Acidic)12.22ChemAxon
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area40.46 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.27 m³·mol⁻¹ChemAxon
Polarizability4.81 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Collision Cross Sections

NameAdductTypeData SourceValueReference

Retention Indices

Underivatized

Not Available

Derivatized

Not Available
Spectra

LC-MS/MS

Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-0147514db3f7eccb2cf92019-02-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-0f8038a28dc4a08ea0ac2019-02-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-374bb10857e9ea5b36942019-02-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-8b8d0c8fa2c8cb8134c92021-09-08View 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 IDFDB022834
KNApSAcK IDNot Available
Chemspider ID170734
KEGG Compound IDC01486
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkChlorite
METLIN IDNot Available
PubChem Compound197148
PDB IDNot Available
ChEBI ID17441
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available