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Showing metabocard for Cerium (BMDB0013672)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:40:32 UTC
Update Date2020-06-04 19:22:33 UTC
MCDB ID BMDB0013672
Secondary Accession Numbers
  • BMDB13672
Metabolite Identification
Common NameCerium
DescriptionCerium, also known as 58CE or Cer, belongs to the class of inorganic compounds known as homogeneous lanthanide compounds. These are inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom. Cerium exists as a solid, possibly soluble (in water), and possibly neutral molecule.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
58CeChEBI
CeChEBI
CerChEBI
CerioChEBI
ZerChEBI
Chemical FormulaCe
Average Molecular Weight140.116
Monoisotopic Molecular Weight139.905434035
IUPAC Namecerium
Traditional Namecerium
CAS Registry Number7440-45-1
SMILES
[Ce]
InChI Identifier
InChI=1S/Ce
InChI KeyGWXLDORMOJMVQZ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous lanthanide compounds. These are inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous lanthanide compounds
Sub ClassNot Available
Direct ParentHomogeneous lanthanide compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous lanthanide
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point795 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP0.0Not Available
Predicted Properties
PropertyValueSource
logP0ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0900000000-6867d8e90e5da412dcad2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0900000000-6867d8e90e5da412dcad2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-0900000000-6867d8e90e5da412dcad2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0900000000-c8fd6adff338d276e31b2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-0900000000-c8fd6adff338d276e31b2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-0900000000-c8fd6adff338d276e31b2016-08-03View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.00243 - 0.00685 uM
  • Z. Dobrzañski et ...
 details
Detected and Quantified0.004 +/- 0.001 uM details
Detected and Quantified0.0050 +/- 0.0003 uM details
Detected and Quantified0.0040 +/- 0.0003 uM details
Detected and Quantified0.007 +/- 0.003 uM details
HMDB IDHMDB0013672
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB004261
KNApSAcK IDNot Available
Chemspider ID22411
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCerium
METLIN IDNot Available
PubChem Compound23974
PDB IDNot Available
ChEBI ID33369
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Z. Dobrzañski, R. Ko3acz, H. Górecka, K. Chojnacka, A. Bartkowiak (2005). Z. Dobrzañski et al. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Polish Journal of Environmental Studies Vol. 14, No 5 (2005), 685-689. Polish Journal of Environmental Studies .
  2. A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.