Milk Composition Database: Showing metabocard for Neodymium (BMDB0013715)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-10-03 18:40:34 UTC

Update Date

2020-06-04 19:00:36 UTC

MCDB ID

BMDB0013715

Secondary Accession Numbers

BMDB13715

Metabolite Identification

Common Name

Neodymium

Description

Neodymium, 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

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
60nd	ChEBI
Nd	ChEBI
Neodimio	ChEBI
Neodym	ChEBI
Neodyme	ChEBI
Neodymium	ChEBI

Chemical Formula

Average Molecular Weight

144.242

Monoisotopic Molecular Weight

141.907718643

IUPAC Name

neodymium

Traditional Name

neodymium

CAS Registry Number

7440-00-8

SMILES

[Nd]

InChI Identifier

InChI=1S/Nd

InChI Key

QEFYFXOXNSNQGX-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.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous lanthanide compounds

Sub Class

Not Available

Direct Parent

Homogeneous lanthanide compounds

Alternative Parents

Not Available

Substituents

Homogeneous lanthanide

Molecular Framework

Not Available

External Descriptors

lanthanoid atom (CHEBI:33372 )
f-block element atom (CHEBI:33372 )

Physical Properties

State

Liquid

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0900000000-b13d021d1e1d698d13ed	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-0900000000-b13d021d1e1d698d13ed	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-0900000000-b13d021d1e1d698d13ed	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0900000000-febd583dce7b8f07642d	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0900000000-febd583dce7b8f07642d	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-0900000000-febd583dce7b8f07642d	2016-08-03	View Spectrum

Concentrations

Status	Value	Reference	Details
Detected and Quantified	0.0017 +/- 0.0003 uM	PMID: 30994344	details
Detected and Quantified	0.0020 +/- 0.0002 uM	PMID: 30994344	details
Detected and Quantified	0.002 +/- 0.001 uM	PMID: 30994344	details
Detected and Quantified	0.003 +/- 0.001 uM	PMID: 30994344	details
Detected and Quantified	0.0003 +/- 0.00001 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.0041 +/- 0.00014 uM	Patricia Cava-Mon...	details

External Links

HMDB ID

HMDB0013715

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB030051

KNApSAcK ID

Not Available

Chemspider ID

22376

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Neodymium

METLIN ID

Not Available

PubChem Compound

23934

PDB ID

Not Available

ChEBI ID

33372

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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.
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.

Showing metabocard for Neodymium (BMDB0013715)

Structure for BMDB0013715 (Neodymium)