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Record Information
Version4.0
StatusDetected and Quantified
Creation Date2012-01-27 12:39:14 UTC
Update Date2020-02-26 21:39:01 UTC
HMDB IDHMDB0013672
Secondary Accession Numbers
  • HMDB13672
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 is possibly neutral. Outside of the human body, Cerium is found, on average, in the highest concentration within a few different foods, such as garden tomato (var.), brazil nuts, and black walnuts and in a lower concentration in cucumbers, garden tomato, and milk (cow). Cerium has also been detected, but not quantified in, several different foods, such as black-eyed pea, cow milks, cow milks, cow milks, and cow milks. This could make cerium a potential biomarker for the consumption of these foods.
Structure
Data?1582753141
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
Ontology
Disposition

Biological location:

Role

Biological role:

Environmental role:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point795 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP0Not 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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0900000000-6867d8e90e5da412dcadSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0900000000-6867d8e90e5da412dcadSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-0900000000-6867d8e90e5da412dcadSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0900000000-c8fd6adff338d276e31bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-0900000000-c8fd6adff338d276e31bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-0900000000-c8fd6adff338d276e31bSpectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.000093-0.003000 uMAdult (>18 years old)Both
Normal
details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
details
Cerebrospinal Fluid (CSF)Detected and Quantified0.005 +/-0.001 uMAdult (>18 years old)Not SpecifiedNormal details
SalivaDetected and Quantified0.005 +/- 0.002 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
details
UrineDetected and Quantified0.00048 (0.00008-0.00180) umol/mmol creatinineAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified0.0-0.0007 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB 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
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB ID
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available