Showing metabocard for Lanthanum (BMDB0013711)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:40:33 UTC
Update Date2020-06-04 19:05:27 UTC
MCDB ID BMDB0013711
Secondary Accession Numbers
  • BMDB13711
Metabolite Identification
Common NameLanthanum
DescriptionLanthanum, also known as 57LA or lantano, 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. Lanthanum is possibly soluble (in water) and possibly neutral.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
57LaChEBI
LaChEBI
LantanoChEBI
LanthanChEBI
LanthaneChEBI
LanthanumChEBI
Chemical FormulaLa
Average Molecular Weight138.9055
Monoisotopic Molecular Weight138.90634816
IUPAC Namelanthanum
Traditional Namelanthanum
CAS Registry Number7439-91-0
SMILES
[La]
InChI Identifier
InChI=1S/La
InChI KeyFZLIPJUXYLNCLC-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, Positivesplash10-000i-0900000000-69853e644286ef849a322016-08-02View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0900000000-69853e644286ef849a322016-08-02View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-0900000000-69853e644286ef849a322016-08-02View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0900000000-8b2b10a5eaecfd55564b2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-0900000000-8b2b10a5eaecfd55564b2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-0900000000-8b2b10a5eaecfd55564b2016-08-03View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.001 - 0.002 uM
  • Z. Dobrzañski et ...
 details
Detected and Quantified0.0010 +/- 0.0002 uM details
Detected and Quantified0.002 +/- 0.001 uM details
Detected and Quantified0.0010 +/- 0.0002 uM details
Detected and Quantified0.002 +/- 0.001 uM details
Detected and Quantified0.0003 - 0.0034 uM
  • Z. Dobrzański, R....
 details
HMDB IDHMDB0013711
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003776
KNApSAcK IDNot Available
Chemspider ID22369
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkLanthanum
METLIN IDNot Available
PubChem Compound23926
PDB IDNot Available
ChEBI ID33336
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Z. Dobrzañski, R. Ko3acz, H. Górecka, K. Chojnacka, A. Bartkowiak (2005). Z. Dobrzañski et al. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Polish Journal of Environmental Studies Vol. 14, No 5 (2005), 685-689. Polish Journal of Environmental Studies .
  2. 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.