Record Information
Version1.0
Creation Date2016-10-03 18:40:34 UTC
Update Date2020-06-04 19:00:36 UTC
BMDB IDBMDB0013715
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
Ontology
StatusDetected and Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0900000000-b13d021d1e1d698d13edView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0900000000-b13d021d1e1d698d13edView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-0900000000-b13d021d1e1d698d13edView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0900000000-febd583dce7b8f07642dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0900000000-febd583dce7b8f07642dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0900000000-febd583dce7b8f07642dView in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Milk
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
MilkDetected and Quantified0.000257 +/- 0.00000693 uMNot SpecifiedNot Specified
Normal
    • Patricia Cava-Mon...
details
MilkDetected and Quantified0.00409 +/- 0.000139 uMNot SpecifiedNot Specified
Normal
    • Patricia Cava-Mon...
details
MilkDetected and Quantified0.0017 +/- 0.0003 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified0.0020 +/- 0.0002 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified0.002 +/- 0.001 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified0.003 +/- 0.001 uMNot SpecifiedNot Specified
Normal
details
Abnormal Concentrations
Not Available
HMDB IDHMDB0013715
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
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.