Record Information
Version1.0
Creation date2011-09-21 00:21:10 UTC
Update date2015-07-21 06:57:24 UTC
Primary IDFDB022889
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePeroxynitrite
DescriptionPeroxynitrite is a potent oxidant synthesized by the cell during its normal metabolism. The peroxynitrite anion (ONOO-) is a reactive species produced in the reaction between the superoxide anion (O2*-) and nitric oxide (*NO). Peroxynitrite (ONOO-) is a strong oxidation and nitration agent, which damages DNA, proteins and other cellular structures. ONOO- is involved in several pathological conditions such as inflammation, arteriosclerosis, and neurodegenerative and cardiovascular disorders. ONOO- inhibits different steps of blood platelet activation and causes the depletion of platelet thiols. (PMID 15647782) [HMDB]
CAS Number19059-14-4
Structure
Thumb
Synonyms
SynonymSource
[NO(oo)](-)ChEBI
PeroxonitriteHMDB
(-)OxoperoxonitrateHMDB
(1-)OxidoperoxidonitrateHMDB
AzoperoxoiteHMDB
PernitriteHMDB
PeroxynitrateHMDB
Peroxynitrosyl (NO3)HMDB
Acid, peroxynitrousMeSH
PeroxynitritesMeSH
PeroxonitritesMeSH
Peroxynitrous acidsMeSH
Peroxynitrous acidMeSH
Peroxynitrous acid, potassium saltMeSH
Acids, peroxynitrousMeSH
(1-)oxidoperoxidonitratehmdb
[NO(OO)](-)ChEBI
Peroxynitritehmdb
Predicted Properties
PropertyValueSource
logP0.32ChemAxon
pKa (Strongest Acidic)6.55ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area61.72 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity8.95 m³·mol⁻¹ChemAxon
Polarizability3.33 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaNO3
IUPAC name(nitrosooxy)olate
InChI IdentifierInChI=1S/HNO3/c2-1-4-3/h3H/p-1
InChI KeyCMFNMSMUKZHDEY-UHFFFAOYSA-M
Isomeric SMILES[O-]ON=O
Average Molecular Weight62.0049
Monoisotopic Molecular Weight61.987817871
Classification
Description Belongs to the class of inorganic compounds known as non-metal peroxynitrites. These are inorganic non-metallic compounds containing a peroxynitrite as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal peroxynitrites
Direct ParentNon-metal peroxynitrites
Alternative Parents
Substituents
  • Non-metal peroxynitrite
  • Inorganic nitrite
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
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
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-9914f528ef3fe70f2c162017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-3d79816b8d0b30ca57102017-09-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-587cdf7700b936c20a052017-09-01View Spectrum
NMRNot Available
ChemSpider ID94607
ChEMBL IDNot Available
KEGG Compound IDC16845
Pubchem Compound ID104806
Pubchem Substance IDNot Available
ChEBI ID25941
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB02179
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDPeroxynitrite
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
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference