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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
DescriptionLight transmitted through neodymium glasses shows unusually sharp absorption bands; the glass is used in astronomical work to produce sharp bands by which spectral lines may be calibrated. Neodymium is also used to remove the green color caused by iron contaminants from glass. Neodymium is a component of "didymium" (referring to mixture of salts of neodymium and praseodymium) used for coloring glass to make welder's and glass-blower's goggles; the sharp absorption bands obliterate the strong sodium emission at 589 nm. Naturally occurring neodymium is a mixture of five stable isotopes, 142Nd, 143Nd, 145Nd, 146Nd and 148Nd, with 142Nd being the most abundant (27.2% of the natural abundance), and two radioisotopes, 144Nd and 150Nd. In all, 31 radioisotopes of neodymium have been detected as of 2010[update], with the most stable radioisotopes being the naturally occurring ones: 144Nd (alpha decay with a half-life of 2.29-1015 years) and 150Nd (double beta decay, half-life 7-1018 years, approximately). All of the remaining radioactive isotopes have half-lives that are shorter than eleven days, and the majority of these have half-lives that are shorter than 70 seconds. Neodymium also has 13 known meta states, with the most stable one being 139mNd (half-life 5.5 hours), 135mNd (half-life 5.5 minutes) and 133m1Nd (half-life about 70 seconds). Neodymium is a chemical element with the symbol Nd and atomic number 60. It is a soft silvery metal that tarnishes in air. Neodymium was discovered in 1885 by the Austrian chemist Carl Auer von Welsbach. It is present in significant quantities in the ore minerals monazite and bastnasite. Neodymium is not found naturally in metallic form or unmixed with other lanthanides, and it is usually refined for general use. Although neodymium is classed as a "rare earth", it is no rarer than cobalt, nickel, and copper ore, and is widely distributed in the Earth's crust. Most of the world's neodymium is mined in China. Neodymium is a quite electropositive element, and it reacts slowly with cold water, but quite quickly with hot water to form neodymium hydroxide:; Neodymium is also used with various other substrate crystals, such as yttrium aluminum garnet in the Nd:YAG laser. This laser usually emits infrared waves at a wavelength of about 1064 nanometers. The Nd:YAG laser is one of the most commonly used solid-state lasers. Neodymium metal dust is a combustion and explosion hazard. Neodymium compounds, as with all rare earth metals, are of low to moderate toxicity; however its toxicity has not been thoroughly investigated. Neodymium dust and salts are very irritating to the eyes and mucous membranes, and moderately irritating to skin. Breathing the dust can cause lung embolisms, and accumulated exposure damages the liver. Neodymium also acts as an anticoagulant, especially when given intravenously. Neodymium, a rare earth metal, was present in the classical mischmetal at a concentration of about 18%. Metallic neodymium has a bright, silvery metallic luster, but as one of the more reactive lanthanide rare-earth metals, it quickly oxidizes in ordinary air. The oxide layer that forms then peels off, and this exposes the metal to further oxidation. Thus a centimeter-sized sample of neodymium completely oxidizes within a year.
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

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+133.832859911
AllCCS[M+H-H2O]+130.332859911
AllCCS[M+NH4]+137.132859911
AllCCS[M+Na]+138.132859911
AllCCS[M-H]-167.732859911
AllCCS[M+Na-2H]-179.332859911
AllCCS[M+HCOO]-192.032859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid306.3 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1023.0 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid485.0 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid218.1 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid400.2 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid261.8 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid368.2 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid471.8 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)708.6 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid753.8 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid236.1 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid835.9 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid334.1 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid419.4 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate744.7 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA416.9 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water323.4 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Neodymium[Nd]695.2Standard polar33892256
Neodymium[Nd]237.8Standard non polar33892256
Neodymium[Nd]72.1Semi standard non polar33892256
Spectra
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