Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB003391
Identification
Name: superoxide
Description:Highly reactive compounds produced when oxygen is reduced by a single electron. In biological systems, they may be generated during the normal catalytic function of a number of enzymes and during the oxidation of hemoglobin to METHEMOGLOBIN. In living organisms, SUPEROXIDE DISMUTASE protects the cell from the deleterious effects of superoxides.
Structure
Thumb
Synonyms:
  • (HO2)(.)
  • Dioxidanyl
  • HO2(.)
  • Hydrogen dioxide
  • Hydroperoxo
  • Hydroperoxy radical
  • Perhydroxyl radical
  • Peroxyl radical
Chemical Formula: HO2
Average Molecular Weight: 33.0067
Monoisotopic Molecular Weight: 32.997654276
InChI Key: OUUQCZGPVNCOIJ-UHFFFAOYSA-N
InChI:InChI=1S/HO2/c1-2/h1H
CAS number: 11062-77-4
IUPAC Name:dioxidanyl
Traditional IUPAC Name: peroxyl radical
SMILES:[O]O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other nonmetals'.
Kingdom Inorganic compounds
Super ClassHomogeneous non-metal compounds
Class Homogeneous other non-metal compounds
Sub ClassNot Available
Direct Parent Homogeneous other non-metal compounds
Alternative Parents Not Available
Substituents
  • Homogeneous other non metal
  • Acyclic compound
Molecular Framework Acyclic compounds
External Descriptors
Physical Properties
State: Solid
Charge:-1
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
logP-0.36ChemAxon
pKa (Strongest Acidic)5.8ChemAxon
pKa (Strongest Basic)-6.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity4.01 m3·mol-1ChemAxon
Polarizability1.99 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Pathways: Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-4e93a232d67934ceadffView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-4e93a232d67934ceadffView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-4e93a232d67934ceadffView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-f822dc4cd7301350a388View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-f822dc4cd7301350a388View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-f822dc4cd7301350a388View in MoNA
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI ID18421
HMDB IDHMDB02168
Pubchem Compound ID5359597
Kegg IDC00704
ChemSpider ID454055
WikipediaSuperoxide
BioCyc IDNot Available