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Superoxide (YMDB00372)

Identification
YMDB IDYMDB00372
NameSuperoxide
SpeciesSaccharomyces cerevisiae
StrainBaker's yeast
DescriptionThe superoxide ion (O2−) is a free radical. It is important as the product of the one-electron reduction of dioxygen O2, which occurs widely in nature. Because superoxide is toxic, nearly all organisms living in the presence of oxygen contain isoforms of the superoxide scavenging enzyme, superoxide dismutase (SOD). Yeast lacking both mitochondrial and cytosolic SOD grow very poorly in air, but quite well under anaerobic conditions. Absence of cytosolic SOD causes a dramatic increase in mutagenesis and genomic instability.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
  • dioxidanidyl
  • dioxide(1-)
  • Hyperoxid
  • Superoxide
  • Superoxide anion
  • superoxide radical
  • Superoxide radical anion
  • (O2)(.-)
  • Hyperoxide
  • O2(.-)
  • O2(-)
  • Superoxide anion radical
  • Superoxyde
  • Superoxides
CAS number11062-77-4
WeightAverage: 31.9988
Monoisotopic: 31.989829244
InChI KeyOUUQCZGPVNCOIJ-UHFFFAOYSA-M
InChIInChI=1S/HO2/c1-2/h1H/p-1
IUPAC Nameoxidanidyloxidanyl
Traditional IUPAC Namesuperoxide
Chemical FormulaO2
SMILES[O][O-]
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal superoxides. These are inorganic non-metallic compounds containing a superoxide as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal superoxides
Direct ParentNon-metal superoxides
Alternative Parents
Substituents
  • Non-metal superoxide
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateSolid
Charge-1
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
logP-0.36ChemAxon
pKa (Strongest Acidic)5.8ChemAxon
pKa (Strongest Basic)-6.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area23.06 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.89 m³·mol⁻¹ChemAxon
Polarizability1.67 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic PropertiesNot Available
SMPDB PathwaysNot Available
KEGG PathwaysNot Available
SMPDB ReactionsNot Available
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-a9a93dd42f2cfa0b34c4JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-a9a93dd42f2cfa0b34c4JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-a9a93dd42f2cfa0b34c4JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-5e864878b295db174473JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-5e864878b295db174473JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-5e864878b295db174473JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-a5bd793545bcb46f0385JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-a5bd793545bcb46f0385JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-a5bd793545bcb46f0385JSpectraViewer
References
References:
  • UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
  • Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID18421
HMDB IDHMDB02168
Pubchem Compound ID5359597
Kegg IDC00704
ChemSpider ID4514331
FOODB IDFDB022880
WikipediaSuperoxide
BioCyc IDSUPER-OXIDE

Enzymes

Protein Details
1. Superoxide dismutase [Cu-Zn]
General function:
Involved in metal ion binding
Specific function:
Destroys radicals which are normally produced within the cells and which are toxic to biological systems
Gene Name:
SOD1
Uniprot ID:
P00445
Molecular weight:
15854.59961
Reactions
2 superoxide + 2 H(+) → O(2) + H(2)O(2).
Protein Details
2. Superoxide dismutase [Mn], mitochondrial
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:
SOD2
Uniprot ID:
P00447
Molecular weight:
25774.09961
Reactions
2 superoxide + 2 H(+) → O(2) + H(2)O(2).