Milk Composition Database: Showing metabocard for Cadmium (BMDB0003638)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 23:05:38 UTC

Update Date

2020-06-04 20:41:06 UTC

MCDB ID

BMDB0003638

Secondary Accession Numbers

BMDB03638

Metabolite Identification

Common Name

Cadmium

Description

Cadmium, also known as CD(2+) or cadmium ion, belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. Cadmium exists as a solid, possibly soluble (in water), and possibly neutral molecule. Cadmium exists in all living organisms, ranging from bacteria to humans. In cattle, cadmium is involved in the metabolic pathway called cadmium induces dna synthesis and proliferation in macrophages pathway. Cadmium is formally rated as a carcinogen (by IARC 1) and is also a potentially toxic compound.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
CADMIUM ion	ChEBI
Cadmium, ion (CD2+)	ChEBI
CD(2+)	ChEBI
CD2+	ChEBI
Cadmium atom	HMDB
Cadmium elemental	HMDB
Cadmium metallicum	HMDB
Cd	HMDB
Colloidal cadmium	HMDB
Kadmium	HMDB

Chemical Formula

Average Molecular Weight

112.411

Monoisotopic Molecular Weight

113.903358121

IUPAC Name

cadmium(2+) ion

Traditional Name

cadmium(2+) ion

CAS Registry Number

7440-43-9

SMILES

[Cd++]

InChI Identifier

InChI=1S/Cd/q+2

InChI Key

WLZRMCYVCSSEQC-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous transition metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous transition metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous transition metal

Molecular Framework

Not Available

External Descriptors

monoatomic dication (CHEBI:48775 )
divalent metal cation (CHEBI:48775 )
cadmium cation (CHEBI:48775 )
a cation (CD+2 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	321 °C	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	-0.07	ChemAxon
Physiological Charge	2	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	splash10-03di-0900000000-f8713a66369086ec0ad5	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-0900000000-f8713a66369086ec0ad5	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-0900000000-f8713a66369086ec0ad5	2016-06-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0900000000-c6c3e3d7e513c880c7f4	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-0900000000-c6c3e3d7e513c880c7f4	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-0900000000-c6c3e3d7e513c880c7f4	2016-08-03	View Spectrum

Concentrations

Status	Value	Reference	Details
Detected and Quantified	0.00187 - 0.0154 uM	PMID: 8201052	details
Detected and Quantified	0.1 +/- 0.1 uM	PMID: 30994344	details
Detected and Quantified	0.5 +/- 0.1 uM	PMID: 30994344	details
Detected and Quantified	0.1 +/- 0.1 uM	PMID: 30994344	details
Detected and Quantified	0.4 +/- 0.3 uM	PMID: 30994344	details
Detected and Quantified	0.0089 - 0.0445 uM	Semaghiul Birghil...	details
Detected and Quantified	0.0089 - 0.867 uM	PMID: 25588978	details
Detected and Quantified	0.0154 uM	Sola-Larrañaga C....	details
Detected and Quantified	0.004 +/- 0.0004 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.021 +/- 0.001 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.01 +/- 0.0002 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.021 +/- 0.002 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.002 +/- 0.00005 uM	Patricia Cava-Mon...	details
Detected and Quantified	0.01 +/- 0.001 uM	Patricia Cava-Mon...	details

External Links

HMDB ID

HMDB0003638

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB030717

KNApSAcK ID

Not Available

Chemspider ID

28935

KEGG Compound ID

C01413

BioCyc ID

CD%2b2

BiGG ID

Not Available

Wikipedia Link

Cadmium

METLIN ID

Not Available

PubChem Compound

31193

PDB ID

Not Available

ChEBI ID

48775

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Jeng SL, Lee SJ, Lin SY: Determination of cadmium and lead in raw milk by graphite furnace atomic absorption spectrophotometer. J Dairy Sci. 1994 Apr;77(4):945-9. doi: 10.3168/jds.S0022-0302(94)77030-2. [PubMed:8201052 ]
Najarnezhad V, Jalilzadeh-Amin G, Anassori E, Zeinali V: Lead and cadmium in raw buffalo, cow and ewe milk from west Azerbaijan, Iran. Food Addit Contam Part B Surveill. 2015;8(2):123-7. doi: 10.1080/19393210.2015.1007396. Epub 2015 Mar 25. [PubMed:25588978 ]
Semaghiul Birghila, Simona Dobrinas, Gabriela Stanciu and Alina Soceanu (2008). Semaghiul Birghila, Simona Dobrinas, Gabriela Stanciu and Alina Soceanu. Determination of major and minor elements in milk through ICP-AES. Environmental Engineering and Management Journal. November/December 2008, Vol.7, No.6, 805-808. Environmental Engineering and Management Journal.
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.
Cristina Sola-Larrañaga, Iñigo Navarro-Blasco (2009). Sola-Larrañaga C., Navarro-Blasco I. 2009. Chemometric analysis of minerals and trace elements in raw cow milk from the community of Navarra, Spain. Volume 112, Issue 1, Pages 189-196. Food Chemistry.

Showing metabocard for Cadmium (BMDB0003638)

Structure for BMDB0003638 (Cadmium)