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Record Information
Version1.0
Creation Date2016-10-03 18:40:34 UTC
Update Date2020-06-04 19:00:36 UTC
MCDB ID BMDB0013715
Secondary Accession Numbers
  • BMDB13715
Metabolite Identification
Common NameNeodymium
DescriptionNeodymium, also known as 60ND or neodym, 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. Neodymium is possibly soluble (in water) and possibly neutral.
Structure
Thumb
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
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot 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-b13d021d1e1d698d13ed2016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0900000000-b13d021d1e1d698d13ed2016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-0900000000-b13d021d1e1d698d13ed2016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0900000000-febd583dce7b8f07642d2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0900000000-febd583dce7b8f07642d2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0900000000-febd583dce7b8f07642d2016-08-03View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.0017 +/- 0.0003 uM details
Detected and Quantified0.0020 +/- 0.0002 uM details
Detected and Quantified0.002 +/- 0.001 uM details
Detected and Quantified0.003 +/- 0.001 uM details
Detected and Quantified0.0003 +/- 0.00001 uM
  • Patricia Cava-Mon...
details
Detected and Quantified0.0041 +/- 0.00014 uM
  • Patricia Cava-Mon...
details
HMDB IDHMDB0013715
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB 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
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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.
  2. Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia (2005). Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia. 2005. Room temperature acid sonication ICP-MS multielemental analysis of milk.Analytica Chimica Acta Volume 531, Issue 1, Pages 111-123. Analytica Chimica Acta.