Showing metabocard for Permanganate (BMDB0001417)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:45:39 UTC
Update Date2020-04-22 15:08:06 UTC
BMDB IDBMDB0001417
Secondary Accession Numbers
  • BMDB01417
Metabolite Identification
Common NamePermanganate
DescriptionPermanganate, also known as [mno3(OH)] or HMNO4, belongs to the class of inorganic compounds known as inorganic oxides. These are inorganic chemical compounds with one or more oxygen atoms combined with another element. Based on a literature review a significant number of articles have been published on Permanganate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
[MnO3(OH)]ChEBI
HMnO4ChEBI
Mangan(VII)-saeureChEBI
Manganic(VII) acidChEBI
PermangansaeureChEBI
UebermangansaeureChEBI
Permanganic acidGenerator
MnO4(1-)HMDB
PermanganateGenerator
Chemical FormulaHMnO4
Average Molecular Weight119.942
Monoisotopic Molecular Weight119.925528
IUPAC Namemanganesoylol
Traditional Namepermanganic acid
CAS Registry Number13465-41-3
SMILES
O[Mn](=O)(=O)=O
InChI Identifier
InChI=1S/Mn.H2O.3O/h;1H2;;;/q+1;;;;/p-1
InChI KeyZJBYBXHCMWGGRR-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as inorganic oxides. These are inorganic chemical compounds with one or more oxygen atoms combined with another element.
KingdomInorganic compounds
Super ClassMiscellaneous inorganic compounds
ClassInorganic oxides
Sub ClassNot Available
Direct ParentInorganic oxides
Alternative Parents
Substituents
  • Inorganic oxide
  • Inorganic salt
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
logP-2.3ChemAxon
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area71.44 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity6.89 m³·mol⁻¹ChemAxon
Polarizability6.31 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-0900000000-4c78fcf302fd4e9e189bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-0900000000-42f5e304bfc513906733View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-0900000000-98a885c6182f956c981bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0900000000-7d210c3730bfb6191144View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0900000000-7d210c3730bfb6191144View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-0900000000-7d210c3730bfb6191144View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0900000000-4b55096f3cb02093c87eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-0900000000-4b55096f3cb02093c87eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-0900000000-4b55096f3cb02093c87eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-0900000000-58962ece1e0041d8a9ffView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-0900000000-5b6629a717b8057b0c90View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0fk9-0900000000-1ca1228709381ded013cView in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0001417
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022610
KNApSAcK IDNot Available
Chemspider ID374116
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPermanganate
METLIN IDNot Available
PubChem Compound422689
PDB IDNot Available
ChEBI ID35124
References
Synthesis ReferenceAtanasiu, Ion A.; Lazar, Lya B.; Constantinescu, Maria. Preparation of permanganate by both direct current and alternating current anodic dissolution of manganese and its alloys. Buletinul Institutului Politehnic Gheorghe Gheorghiu-Dej Bucuresti (1967), 29(1), 49-57.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available