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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2012-05-18 14:04:04 UTC
Update Date2020-02-26 21:39:04 UTC
HMDB IDHMDB0013715
Secondary Accession Numbers
  • HMDB13715
Metabolite Identification
Common NameNeodymium
Description
Structure
Data?1582753144
Synonyms
ValueSource
60ndChEBI
NdChEBI
NeodimioChEBI
NeodymChEBI
NeodymeChEBI
NeodymiumChEBI
Chemical FormulaNd
Average Molecular Weight144.242
Monoisotopic Molecular Weight141.907718643
IUPAC Nameneodymium
Traditional Nameneodymium
CAS Registry Number7440-00-8
SMILES
[Nd]
InChI Identifier
InChI=1S/Nd
InChI KeyQEFYFXOXNSNQGX-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
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular 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
Predicted Chromatographic Properties
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neodymium 10V, Positive-QTOFsplash10-0006-0900000000-b13d021d1e1d698d13ed2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neodymium 20V, Positive-QTOFsplash10-0006-0900000000-b13d021d1e1d698d13ed2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neodymium 40V, Positive-QTOFsplash10-0006-0900000000-b13d021d1e1d698d13ed2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neodymium 10V, Negative-QTOFsplash10-0006-0900000000-febd583dce7b8f07642d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neodymium 20V, Negative-QTOFsplash10-0006-0900000000-febd583dce7b8f07642d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Neodymium 40V, Negative-QTOFsplash10-0006-0900000000-febd583dce7b8f07642d2016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Saliva
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.000042-0.003000 uMAdult (>18 years old)Both
Normal
details
SalivaDetected and Quantified0.002 +/- 0.001 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
details
UrineDetected and Quantified0.00017 (0.00004-0.00070) umol/mmol creatinineAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified0.0026 ± 0.0013 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 IDFDB030051
KNApSAcK IDNot Available
Chemspider ID22376
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNeodymium
METLIN IDNot Available
PubChem Compound23934
PDB IDNot Available
ChEBI ID33372
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available