Milk Composition Database: Showing metabocard for Cesium (BMDB0013669)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-10-03 18:40:30 UTC

Update Date

2020-06-04 19:09:55 UTC

MCDB ID

BMDB0013669

Secondary Accession Numbers

BMDB13669

Metabolite Identification

Common Name

Cesium

Description

Cesium, also known as 55CS or cesio, belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom. Cesium exists as a solid, possibly soluble (in water), and possibly neutral molecule. Cesium is a potentially toxic compound.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
55CS	ChEBI
Caesium	ChEBI
Cesio	ChEBI
Cs	ChEBI
Zaesium	ChEBI
Casium	HMDB
Zasium	HMDB
Cesium	ChEBI
Cesium 133	MeSH
Cesium-133	MeSH

Chemical Formula

Average Molecular Weight

132.9055

Monoisotopic Molecular Weight

132.90544687

IUPAC Name

caesium

Traditional Name

caesium

CAS Registry Number

7440-46-2

SMILES

[Cs]

InChI Identifier

InChI=1S/Cs

InChI Key

TVFDJXOCXUVLDH-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous alkali metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous alkali metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous alkali metal

Molecular Framework

Not Available

External Descriptors

alkali metal atom (CHEBI:30514 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	28.44 °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	splash10-001i-0900000000-9e644453c5b8e83e4f89	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-0900000000-9e644453c5b8e83e4f89	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-0900000000-9e644453c5b8e83e4f89	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0900000000-737e000cd1893b77d056	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-0900000000-737e000cd1893b77d056	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-0900000000-737e000cd1893b77d056	2016-08-03	View Spectrum

Concentrations

Status	Value	Reference	Details
Detected and Quantified	0.0112 - 0.0348 uM	Z. Dobrzañski et ...	details
Detected and Quantified	0.010 +/- 0.002 uM	PMID: 30994344	details
Detected and Quantified	0.01 +/- 0.01 uM	PMID: 30994344	details
Detected and Quantified	0.010 +/- 0.001 uM	PMID: 30994344	details
Detected and Quantified	0.030 +/- 0.001 uM	PMID: 30994344	details
Detected and Quantified	0.0031 +/- 0.0003 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.0024 +/- 0.0002 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.001 +/- 0.0001 uM	Patricia Cava-Mon...	details

External Links

HMDB ID

HMDB0013669

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB003768

KNApSAcK ID

Not Available

Chemspider ID

4510778

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Caesium

METLIN ID

Not Available

PubChem Compound

5354618

PDB ID

Not Available

ChEBI ID

30514

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.
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 Cesium (BMDB0013669)

Structure for BMDB0013669 (Cesium)