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superoxide (M2MDB003391)

Record Information
Version2.0
Creation Date2012-10-10 12:11:49 -0600
Update Date2015-08-05 16:22:03 -0600
Secondary Accession Numbers
  • ECMDB23001
Identification
Name:superoxide
DescriptionHighly 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
MOLSDFPDBSMILESInChI
Synonyms:
  • (HO2)(.)
  • Dioxidanyl
  • HO2(.)
  • Hydrogen dioxide
  • Hydroperoxo
  • Hydroperoxy radical
  • Perhydroxyl radical
  • Peroxyl radical
Chemical Formula:HO2
Weight:Average: 33.0067
Monoisotopic: 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
Description 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 non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
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 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity4.01 m³·mol⁻¹ChemAxon
Polarizability1.99 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
2 superoxide + 2 Hydrogen ion > Oxygen + Hydrogen peroxide
2 Hydrogen ion + 2 superoxide <> Oxygen + Hydrogen peroxide
2 Hydrogen ion + 2 superoxide <> Oxygen + Hydrogen peroxide
2 Hydrogen ion + 2 superoxide <> Oxygen + Hydrogen peroxide
SMPDB Pathways:Not Available
KEGG Pathways:Not Available
EcoCyc Pathways:Not Available
Concentrations
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 IDNot Available
WikipediaSuperoxide
BioCyc IDNot Available

Enzymes

Protein Details
1. Superoxide dismutase [Mn]
General function:
Involved in superoxide dismutase activity
Specific function:
Destroys radicals which are normally produced within the cells and which are toxic to biological systems
Gene Name:
sodA
Uniprot ID:
P00448
Molecular weight:
23097
Reactions
2 superoxide + 2 H(+) = O(2) + H(2)O(2).
Protein Details
2. Superoxide dismutase [Cu-Zn]
General function:
Involved in superoxide metabolic process
Specific function:
Destroys radicals which are normally produced within the cells and which are toxic to biological systems
Gene Name:
sodC
Uniprot ID:
P0AGD1
Molecular weight:
17681
Reactions
2 superoxide + 2 H(+) = O(2) + H(2)O(2).
Protein Details
3. Superoxide dismutase [Fe]
General function:
Involved in superoxide dismutase activity
Specific function:
Destroys radicals which are normally produced within the cells and which are toxic to biological systems
Gene Name:
sodB
Uniprot ID:
P0AGD3
Molecular weight:
21266
Reactions
2 superoxide + 2 H(+) = O(2) + H(2)O(2).