Milk Composition Database: Showing metabocard for Cerium (BMDB0013672)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-10-03 18:40:32 UTC

Update Date

2020-06-04 19:22:33 UTC

MCDB ID

BMDB0013672

Secondary Accession Numbers

BMDB13672

Metabolite Identification

Common Name

Cerium

Description

Cerium, also known as 58CE or Cer, 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. Cerium exists as a solid, possibly soluble (in water), and possibly neutral molecule.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
58Ce	ChEBI
Ce	ChEBI
Cer	ChEBI
Cerio	ChEBI
Zer	ChEBI

Chemical Formula

Average Molecular Weight

140.116

Monoisotopic Molecular Weight

139.905434035

IUPAC Name

cerium

Traditional Name

cerium

CAS Registry Number

7440-45-1

SMILES

[Ce]

InChI Identifier

InChI=1S/Ce

InChI Key

GWXLDORMOJMVQZ-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:33369 )
f-block element atom (CHEBI:33369 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	795 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	0.0	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	splash10-0006-0900000000-6867d8e90e5da412dcad	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-0900000000-6867d8e90e5da412dcad	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-0900000000-6867d8e90e5da412dcad	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-0900000000-c8fd6adff338d276e31b	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-0900000000-c8fd6adff338d276e31b	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-000i-0900000000-c8fd6adff338d276e31b	2016-08-03	View Spectrum

Concentrations

Status	Value	Reference	Details
Detected and Quantified	0.00243 - 0.00685 uM	Z. Dobrzañski et ...	details
Detected and Quantified	0.004 +/- 0.001 uM	PMID: 30994344	details
Detected and Quantified	0.0050 +/- 0.0003 uM	PMID: 30994344	details
Detected and Quantified	0.0040 +/- 0.0003 uM	PMID: 30994344	details
Detected and Quantified	0.007 +/- 0.003 uM	PMID: 30994344	details

External Links

HMDB ID

HMDB0013672

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB004261

KNApSAcK ID

Not Available

Chemspider ID

22411

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Cerium

METLIN ID

Not Available

PubChem Compound

23974

PDB ID

Not Available

ChEBI ID

33369

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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 .
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.

Showing metabocard for Cerium (BMDB0013672)

Structure for BMDB0013672 (Cerium)