Showing metabocard for Superoxide (BMDB0002168)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesenzymes (7) Show 7 proteinsXML
Record Information
Version1.0
Creation Date2016-09-30 22:51:59 UTC
Update Date2020-04-22 15:09:59 UTC
BMDB IDBMDB0002168
Secondary Accession Numbers
  • BMDB02168
Metabolite Identification
Common NameSuperoxide
DescriptionSuperoxide, also known as superoxide or superoxide, belongs to the class of inorganic compounds known as non-metal superoxide. These are inorganic non-metallic compounds containing a superoxide as its largest oxoanion. Superoxide is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Superoxide exists in all living species, ranging from bacteria to humans. In cattle, superoxide is involved in the metabolic pathway called the degradation OF superoxide pathway.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
(O2)(.-)ChEBI
Dioxide(1-)ChEBI
HyperoxidChEBI
HyperoxideChEBI
O2(.-)ChEBI
O2(-)ChEBI
Superoxide anionChEBI
Superoxide anion radicalChEBI
Superoxide radicalChEBI
Superoxide radical anionChEBI
SuperoxydeChEBI
SuperoxidesMeSH
DioxidanidylHMDB
Chemical FormulaO2
Average Molecular Weight31.9988
Monoisotopic Molecular Weight31.989829244
IUPAC Nameoxidanidyloxidanyl
Traditional Namesuperoxide
CAS Registry Number11062-77-4
SMILES
[O][O-]
InChI Identifier
InChI=1S/HO2/c1-2/h1H/p-1
InChI KeyOUUQCZGPVNCOIJ-UHFFFAOYSA-M
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
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
  • Mitochondria
  • Nucleus
  • Peroxisome
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-a9a93dd42f2cfa0b34c4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-a9a93dd42f2cfa0b34c4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-a9a93dd42f2cfa0b34c4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-5e864878b295db174473View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-5e864878b295db174473View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-5e864878b295db174473View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-a5bd793545bcb46f0385View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-a5bd793545bcb46f0385View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-a5bd793545bcb46f0385View in MoNA
Biological Properties
Cellular Locations
  • Cytoplasm
  • Mitochondria
  • Nucleus
  • Peroxisome
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0002168
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022880
KNApSAcK IDNot Available
Chemspider ID4514331
KEGG Compound IDC00704
BioCyc IDSUPER-OXIDE
BiGG ID35743
Wikipedia LinkSuperoxide
METLIN IDNot Available
PubChem Compound5359597
PDB IDNot Available
ChEBI ID18421
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. Superoxide dismutase [Mn], mitochondrial
General function:
Inorganic ion transport and metabolism
Specific function:
Destroys superoxide anion radicals which are normally produced within the cells and which are toxic to biological systems.
Gene Name:
SOD2
Uniprot ID:
P41976
Molecular weight:
24638.0
Enzyme Details
2. Superoxide dismutase
General function:
Inorganic ion transport and metabolism
Specific function:
Not Available
Gene Name:
SOD1
Uniprot ID:
A4URH1
Molecular weight:
10512.0
Enzyme Details
3. Glycolactin
General function:
Involved in antioxidant activity
Specific function:
Manifests poly C-specific RNase activity toward yeast tRNA, elicits a dose-dependent inhibition of cell-free translation, inhibits formation of superoxide ions in vitro and inhibits the hemagglutinating activities of soybean lectin and Ricinus communis agglutinin 120. Inhibits HIV-1 reverse transcriptase.
Gene Name:
Not Available
Uniprot ID:
P59760
Molecular weight:
5574.0
Enzyme Details
4. Superoxide dismutase [Cu-Zn]
General function:
Inorganic ion transport and metabolism
Specific function:
Destroys radicals which are normally produced within the cells and which are toxic to biological systems.
Gene Name:
ECSOD
Uniprot ID:
A3KLR9
Molecular weight:
26177.0
Enzyme Details
5. Similar to superoxide dismutase
General function:
Inorganic ion transport and metabolism
Specific function:
Not Available
Gene Name:
Not Available
Uniprot ID:
Q861T4
Molecular weight:
12926.0
Enzyme Details
6. Superoxide dismutase [Cu-Zn]
General function:
Inorganic ion transport and metabolism
Specific function:
Destroys radicals which are normally produced within the cells and which are toxic to biological systems.
Gene Name:
SOD1
Uniprot ID:
P00442
Molecular weight:
15683.0
Enzyme Details
7. Thymus HYPOCHOLESTEROLEMIC factor (TPHF) (Superoxide dismutase) (SOD)
General function:
Inorganic ion transport and metabolism
Specific function:
Not Available
Gene Name:
Not Available
Uniprot ID:
Q9TS96
Molecular weight:
11344.0