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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:23:21 UTC
Update Date2018-03-12 21:54:13 UTC
HMDB IDHMDB0035409
Secondary Accession Numbers
  • HMDB35409
Metabolite Identification
Common NameOzone
DescriptionOzone, also known as ozon or trioxygen, belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'. Ozone is a potentially toxic compound.
Structure
Thumb
Synonyms
ValueSource
Oxygen, mol (O3)HMDB
OZONHMDB
Ozone heavy workHMDB
Ozone heavy, moderate, or light workloads (<2 hours)HMDB
Ozone light workHMDB
Ozone moderate workHMDB
Ozone, 11ciHMDB
OzonoHMDB
Triatomic oxygenHMDB
Trioxid-2-en-2-ium-1-ideHMDB
TrioxygenHMDB
TrioxygeneHMDB
Chemical FormulaO3
Average Molecular Weight47.9982
Monoisotopic Molecular Weight47.984743866
IUPAC Nametrioxirane
Traditional Namecyclic ozone
CAS Registry Number10028-15-6
SMILES
O1OO1
InChI Identifier
InChI=1S/O3/c1-2-3-1
InChI KeyXQOAKYYZMDCSIA-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal oxides
Direct ParentOther non-metal oxides
Alternative ParentsNot Available
Substituents
  • Other non-metal oxide
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Process

Naturally occurring process:

Role

Environmental role:

Industrial application:

Biological role:

Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-251 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.45ChemAxon
pKa (Strongest Basic)-6.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.29 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity4.05 m³·mol⁻¹ChemAxon
Polarizability2.22 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
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, Positivesplash10-0002-9000000000-be30dca12c52c2bb5f3aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-be30dca12c52c2bb5f3aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-be30dca12c52c2bb5f3aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-60959792246836c9582eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-60959792246836c9582eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-60959792246836c9582eView in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB014085
KNApSAcK IDNot Available
Chemspider ID13375217
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOzone
METLIN IDNot Available
PubChem Compound16206854
PDB IDNot Available
ChEBI ID25812
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Travagli V, Zanardi I, Bocci V: Topical applications of ozone and ozonated oils as anti-infective agents: an insight into the patent claims. Recent Pat Antiinfect Drug Discov. 2009 Jun;4(2):130-42. [PubMed:19519548 ]
  2. Shakov VIu, Edeleva AN: [Reasons for the application of medical ozone in the treatment of chronic purulent mesotympanitis]. Vestn Otorinolaringol. 1999;(2):48-9. [PubMed:10226494 ]
  3. Zuma FN, Lin J, Jonnalagadda SB: Kinetics of inactivation of Pseudomonas aeruginosa in aqueous solutions by ozone aeration. J Environ Sci Health A Tox Hazard Subst Environ Eng. 2009 Aug;44(10):929-35. [PubMed:19827485 ]
  4. Wells KH, Latino J, Gavalchin J, Poiesz BJ: Inactivation of human immunodeficiency virus type 1 by ozone in vitro. Blood. 1991 Oct 1;78(7):1882-90. [PubMed:1717074 ]
  5. Clayton H, Knight MR, Knight H, McAinsh MR, Hetherington AM: Dissection of the ozone-induced calcium signature. Plant J. 1999 Mar;17(5):575-9. [PubMed:10205911 ]
  6. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .