Showing metabocard for Peroxynitrite (BMDB0002179)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:52:11 UTC
Update Date2020-04-22 15:10:03 UTC
BMDB IDBMDB0002179
Secondary Accession Numbers
  • BMDB02179
Metabolite Identification
Common NamePeroxynitrite
DescriptionPeroxynitrite, also known as [no(OOH)] or HNO(O2), 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. Based on a literature review a significant number of articles have been published on Peroxynitrite.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
[NO(OOH)]ChEBI
HNO(O2)ChEBI
[No(oo)](-)HMDB
PeroxonitriteHMDB
(-)OxoperoxonitrateHMDB
(1-)OxidoperoxidonitrateHMDB
AzoperoxoiteHMDB
PernitriteHMDB
PeroxynitrateHMDB
Peroxynitrosyl (NO3)HMDB
Acid, peroxynitrousHMDB
PeroxynitritesHMDB
PeroxonitritesHMDB
Peroxynitrous acidsHMDB
Peroxynitrous acidHMDB
Peroxynitrous acid, potassium saltHMDB
Acids, peroxynitrousHMDB
PeroxynitriteMeSH
Chemical FormulaHNO3
Average Molecular Weight63.012
Monoisotopic Molecular Weight62.995642896
IUPAC Namehydroxy nitrite
Traditional Nameperoxynitrous acid
CAS Registry Number19059-14-4
SMILES
OON=O
InChI Identifier
InChI=1S/HNO3/c2-1-4-3/h3H
InChI KeyCMFNMSMUKZHDEY-UHFFFAOYSA-N
Chemical Taxonomy
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
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.32ChemAxon
pKa (Strongest Acidic)6.55ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area58.89 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity10.07 m³·mol⁻¹ChemAxon
Polarizability3.64 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0002179
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022889
KNApSAcK IDNot Available
Chemspider ID109951
KEGG Compound IDC16845
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPeroxynitrite
METLIN IDNot Available
PubChem Compound123349
PDB IDNot Available
ChEBI ID25942
References
Synthesis ReferenceNiles, Jacquin C.; Wishnok, John S.; Tannenbaum, Steven R. A Novel Nitration Product Formed during the Reaction of Peroxynitrite with 2',3',5'-Tri-O-acetyl-7,8-dihydro-8-oxoguanosine: N-Nitro-N'-[1-(2,3,5-Tri-O-acetyl-b-D-erythro-pentofuranosyl)-2,4-dioxo
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available