Showing metabocard for Copper (BMDB0000657)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:34:24 UTC
Update Date2020-06-04 20:47:21 UTC
MCDB ID BMDB0000657
Secondary Accession Numbers
  • BMDB00657
Metabolite Identification
Common NameCopper
DescriptionCopper, also known as cu(ii) or copper (ii) 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. Copper exists as a solid, possibly soluble (in water), and possibly neutral molecule. Copper exists in all living species, ranging from bacteria to humans. In cattle, copper is involved in the metabolic pathway called the tyrosine metabolism pathway. Copper is a potentially toxic compound. Copper has been found to be associated with several diseases known as aceruloplasminemia, mental retardation, enteropathy, deafness, peripheral neuropathy, ichthyosis, and keratoderma, and alzheimer's disease; also copper has been linked to several inborn metabolic disorders including hyperzincaemia and hypercalprotectinaemia and menkes disease.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
COPPER (II) ionChEBI
Copper(II) cationChEBI
Copper, ion (cu2+)ChEBI
Cu(II)ChEBI
Cu2+ChEBI
Cu(2+)ChEBI
Cupric ionChEBI
CuHMDB
Chemical FormulaCu
Average Molecular Weight63.546
Monoisotopic Molecular Weight62.929601079
IUPAC Namecopper(2+) ion
Traditional Namecopper(2+) ion
CAS Registry Number7440-50-8
SMILES
[Cu++]
InChI Identifier
InChI=1S/Cu/q+2
InChI KeyJPVYNHNXODAKFH-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
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point1083 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.16ChemAxon
pKa (Strongest Acidic)3.09ChemAxon
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
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-59c652eccc13cc365f652016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-59c652eccc13cc365f652016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-59c652eccc13cc365f652016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-9acd78ab9faeb89677a72016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-9acd78ab9faeb89677a72016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-9acd78ab9faeb89677a72016-08-03View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified1 +/- 0.1 uM details
Detected and Quantified1 +/- 0.23 uM
  • A. PECHOVÁ et al....
 details
Detected and Quantified1.416 uM
  • NRC. 1989. Recomm...
 details
Detected and Quantified1.58 uM
  • Z. Dobrzañski et ...
 details
Detected and Quantified1.574 uM details
Detected and Quantified1.574 uM details
Detected and Quantified1.574 uM details
Detected and Quantified1.574 uM details
Detected and Quantified1.574 uM details
Detected and Quantified1.574 uM details
Detected and Quantified1.574 uM details
Detected and Quantified1.574 uM details
Detected and Quantified9.442 uM
  • Park, Y. W; Juáre...
 details
Detected and Quantified1.1 +/- 0.1 uM details
Detected and Quantified1.4 +/- 0.2 uM details
Detected and Quantified1.3 +/- 0.1 uM details
Detected and Quantified2 +/- 1 uM details
Detected and Quantified1.259 - 1.731 uM details
Detected and Quantified1.574 uM details
Detected and Quantified1.259 - 8.498 uM
  • Semaghiul Birghil...
 details
Detected and Quantified1.023 - 1.401 uM
  • Z. Dobrzański, R....
 details
Detected and Quantified8.0572 +/- 0.0944 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified1.401 +/- 0.0472 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified9 +/- 0.13 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified1.212 +/- 0.0944 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified2 +/- 0.4 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified1 +/- 0.0944 uM
  • Patricia Cava-Mon...
 details
HMDB IDHMDB0000657
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030749
KNApSAcK IDNot Available
Chemspider ID25221
KEGG Compound IDC00070
BioCyc IDCU%2b2
BiGG IDNot Available
Wikipedia LinkCopper
METLIN IDNot Available
PubChem Compound27099
PDB IDNot Available
ChEBI ID29036
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Campillo N, Vinas P, Lopez-Garcia I, Hernandez-Cordoba M: Direct determination of copper and zinc in cow milk, human milk and infant formula samples using electrothermal atomization atomic absorption spectrometry. Talanta. 1998 Aug;46(4):615-22. [PubMed:18967184 ]
  2. Gaucheron F: Milk and dairy products: a unique micronutrient combination. J Am Coll Nutr. 2011 Oct;30(5 Suppl 1):400S-9S. [PubMed:22081685 ]
  3. A. Pechová, L. Pavlata, R. Dvořák, E. Lokajová (2008). A. PECHOVÁ et al. Contents of Zn, Cu, Mn and Se in Milk in Relation to their Concentrations in Blood, Milk Yield and Stage of Lactation in Dairy Cattle. Acta Vet. Brno 2008, 77: 523-531. Acta Vet. Brno.
  4. NA (1989). NRC. 1989. Recommended Dietary Allowances. 10th ed. Natl. Acad. Press, Washington, DC.. The National Academies Press.
  5. 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.
  6. 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 .
  7. Z. Dobrzański, R. Kołacz, H. Górecka, K. Chojnacka, A. Bartkowiak. (2005). Z. Dobrzański, R. Kołacz, H. Górecka, K. Chojnacka, A. Bartkowiak. 2005. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Pol. J. Environ. Stud. 14(5):685–689. Polish Journal of Environmental Studies.
  8. Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W. (2007). Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013. Small Ruminant Research.
  9. 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.
  10. 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.
  11. Fooddata+, The Technical University of Denmark (DTU) [Link]