Survey with prize
Record Information
Version1.0
Creation date2011-09-21 00:21:00 UTC
Update date2019-11-26 03:21:06 UTC
Primary IDFDB022880
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSuperoxide
DescriptionSuperoxide is the anionic form O2. It is important as the product of the one-electron reduction of dioxygen (oxygen gas), which occurs widely in nature. With one unpaired electron, the superoxide ion is a free radical. It is also paramagnetic. The biological toxicity of superoxide is due to its capacity to inactivate iron-sulfur cluster containing enzymes (which are critical in a wide variety of metabolic pathways), thereby liberating free iron in the cell, which can undergo fenton-chemistry and generate the highly reactive hydroxyl radical. In its HO2 form, superoxide can also initiate lipid peroxidation of polyunsaturated fatty acids. It also reacts with carbonyl compounds and halogenated carbons to create toxic peroxy radicals. As such, superoxide is a main cause of oxidative stress.; 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. Because superoxide is toxic, nearly all organisms living in the presence of oxygen contain isoforms of the superoxide scavenging enzyme, superoxide dismutase, or SOD. SOD is an extremely efficient enzyme; it catalyzes the neutralization of superoxide nearly as fast as the two can diffuse together spontaneously in solution. Genetic inactivation ("knockout") of SOD produces deleterious phenotypes in organisms ranging from bacteria to mice. The latter species dies around 21 days after birth if the mitochondrial variant of SOD (Mn-SOD) is inactivated, and suffers from multiple pathologies, including reduced lifespan, liver cancer, muscle atrophy, cataracts and female infertility when the cytoplasmic (Cu, Zn -SOD) variant is inactivated. With one unpaired electron, the superoxide ion is a free radical and therefore paramagnetic.; In living organisms, superoxide dismutase protects the cell from the deleterious effects of superoxides. [HMDB]. Superoxide is found in many foods, some of which are pepper (c. chinense), wasabi, garden tomato, and yellow bell pepper.
CAS Number11062-77-4
Structure
Thumb
Synonyms
SynonymSource
(O2)(.-)ChEBI
Dioxide(1-)ChEBI
HyperoxidChEBI
HyperoxideChEBI
O2(.-)ChEBI
O2(-)ChEBI
Superoxide anionChEBI
Superoxide anion radicalChEBI
Superoxide radicalChEBI
Superoxide radical anionChEBI
SuperoxydeChEBI
DioxidanidylHMDB
SuperoxidesHMDB
dioxidanidylhmdb
dioxide(1-)hmdb
Superoxidehmdb
superoxide radicalhmdb
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
Chemical FormulaO2
IUPAC nameoxidanidyloxidanyl
InChI IdentifierInChI=1S/HO2/c1-2/h1H/p-1
InChI KeyOUUQCZGPVNCOIJ-UHFFFAOYSA-M
Isomeric SMILES[O][O-]
Average Molecular Weight31.9988
Monoisotopic Molecular Weight31.989829244
Classification
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
Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot 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
ChemSpider ID4514331
ChEMBL IDNot Available
KEGG Compound IDC00704
Pubchem Compound ID5359597
Pubchem Substance IDNot Available
ChEBI ID18421
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB02168
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID35743
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDSuperoxide
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
Pathways
NameSMPDB LinkKEGG Link
Degradation of SuperoxidesSMP00468 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference