Showing metabocard for Cobalt (BMDB0000608)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:33:31 UTC
Update Date2020-06-04 19:34:59 UTC
MCDB ID BMDB0000608
Secondary Accession Numbers
  • BMDB00608
Metabolite Identification
Common NameCobalt
DescriptionCobalt, also known as co(ii) or cobalt(2+) 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. Cobalt exists as a solid, possibly soluble (in water), and possibly neutral molecule. Cobalt exists in all living organisms, ranging from bacteria to humans. Cobalt is a potentially toxic compound.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Co(II)ChEBI
CO2+ChEBI
Co(2+)ChEBI
COBALT (II) ionChEBI
Cobalt(2+) ionChEBI
Cobalt(II) cationChEBI
Cobaltous ionChEBI
Cobalt(2+)Kegg
AquacatHMDB
CoHMDB
Cobalt-59HMDB
Cobatope-57HMDB
KobaltHMDB
Super cobaltHMDB
Chemical FormulaCo
Average Molecular Weight58.9332
Monoisotopic Molecular Weight58.933200194
IUPAC Namelambda2-cobalt(2+) ion
Traditional Namelambda2-cobalt(2+) ion
CAS Registry Number7440-48-4
SMILES
[Co++]
InChI Identifier
InChI=1S/Co/q+2
InChI KeyXLJKHNWPARRRJB-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 Point1495 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.23ChemAxon
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, Positivesplash10-0a4i-9000000000-5ec55e9e276ff34b918f2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-9000000000-5ec55e9e276ff34b918f2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-5ec55e9e276ff34b918f2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-9000000000-c4eed668d3af388c4a952016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-9000000000-c4eed668d3af388c4a952016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-9000000000-c4eed668d3af388c4a952016-08-03View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.04 - 0.08 uM
  • Z. Dobrzañski et ...
 details
Detected and Quantified0.02 +/- 0.01 uM details
Detected and Quantified0.02 +/- 0.01 uM details
Detected and Quantified0.03 +/- 0.01 uM details
Detected and Quantified0.03 +/- 0.01 uM details
Detected and Quantified0.0876 - 0.142 uM
  • Z. Dobrzański, R....
 details
Detected and Quantified0.02 +/- 0.001 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.04 +/- 0.002 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.021 +/- 0.00051 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.0373 +/- 0.0034 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.02 +/- 0.0014 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.021 +/- 0.001 uM
  • Patricia Cava-Mon...
 details
HMDB IDHMDB0000608
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003581
KNApSAcK IDNot Available
Chemspider ID94546
KEGG Compound IDC00175
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCobalt
METLIN IDNot Available
PubChem Compound104729
PDB IDNot Available
ChEBI ID48828
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. 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 .
  2. 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.
  3. 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.
  4. 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.