Cadmium compounds (CHEM008887)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 02:54:24 UTC
Update Date2016-11-09 01:13:53 UTC
Accession NumberCHEM008887
Identification
Common NameCadmium compounds
ClassSmall Molecule
DescriptionCadmium, 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.
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
CADMIUM ionChEBI
Cadmium, ion (CD2+)ChEBI
CD(2+)ChEBI
CD2+ChEBI
Cadmium atomHMDB
Cadmium elementalHMDB
Cadmium metallicumHMDB
CdHMDB
Colloidal cadmiumHMDB
KadmiumHMDB
Chemical FormulaCd
Average Molecular Mass112.411 g/mol
Monoisotopic Mass113.903 g/mol
CAS Registry NumberE649954
IUPAC Namecadmium(2+) ion
Traditional Namecadmium(2+) ion
SMILES[Cd]
InChI IdentifierInChI=1S/Cd
InChI KeyBDOSMKKIYDKNTQ-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.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous transition metal
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-0.07ChemAxon
Physiological Charge2ChemAxon
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
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-f8713a66369086ec0ad5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-f8713a66369086ec0ad5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0900000000-f8713a66369086ec0ad5Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-c6c3e3d7e513c880c7f4Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0900000000-c6c3e3d7e513c880c7f4Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0900000000-c6c3e3d7e513c880c7f4Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0003638
FooDB IDFDB030717
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCD%2b2
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkCadmium
Chemspider ID28935
ChEBI ID48775
PubChem Compound ID31193
Kegg Compound IDC01413
YMDB IDNot Available
ECMDB IDECMDB21194
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. 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.
2. 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.
3. 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
4. A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation)
5. 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
6. 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
7. Godt J, Scheidig F, Grosse-Siestrup C, Esche V, Brandenburg P, Reich A, Groneberg DA: The toxicity of cadmium and resulting hazards for human health. J Occup Med Toxicol. 2006 Sep 10;1:22.