Showing metabocard for Chromium (BMDB0000599)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:33:23 UTC
Update Date2020-06-04 20:40:38 UTC
MCDB ID BMDB0000599
Secondary Accession Numbers
  • BMDB00599
Metabolite Identification
Common NameChromium
DescriptionChromium, also known as CR(3+) or chromic 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. Chromium exists as a solid, possibly soluble (in water), and possibly neutral molecule.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Chromic ionChEBI
Chromium (III) ionChEBI
CHROMIUM ionChEBI
Chromium(III)ChEBI
CR(3+)ChEBI
ChromeHMDB
Chromium metalHMDB
CrHMDB
Chemical FormulaCr
Average Molecular Weight51.9961
Monoisotopic Molecular Weight51.940511904
IUPAC Namechromium(3+) ion
Traditional Namechromium(3+) ion
CAS Registry Number7440-47-3
SMILES
[Cr+3]
InChI Identifier
InChI=1S/Cr/q+3
InChI KeyBFGKITSFLPAWGI-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 Point1900 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.16ChemAxon
pKa (Strongest Acidic)3.09ChemAxon
Physiological Charge3ChemAxon
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, Positivesplash10-0udi-9000000000-ad2780f1f48b7aca80122016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-9000000000-ad2780f1f48b7aca80122016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-9000000000-ad2780f1f48b7aca80122016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-9000000000-f010964c6795d9f5713a2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-9000000000-f010964c6795d9f5713a2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-9000000000-f010964c6795d9f5713a2016-08-03View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.7 - 1.9 uM
  • Semaghiul Birghil...
 details
Detected and Quantified0.01 uM details
Detected and Quantified0.01 uM details
Detected and Quantified0.01 uM details
Detected and Quantified0.01 uM details
Detected and Quantified0.01 uM details
Detected and Quantified0.01 uM details
Detected and Quantified0.01 uM details
Detected and Quantified0.01 uM details
Detected and Quantified1.5 +/- 0.2 uM details
Detected and Quantified1.5 +/- 0.1 uM details
Detected and Quantified1.7 +/- 0.2 uM details
Detected and Quantified1.50 +/- 0.03 uM details
Detected and Quantified0.769 - 3.462 uM
  • Semaghiul Birghil...
 details
Detected and Quantified1.442 - 1.692 uM
  • Z. Dobrzański, R....
 details
Detected and Quantified0.1 +/- 0.00096 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.1 +/- 0.012 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.1 +/- 0.0012 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.121 +/- 0.00962 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.00392 +/- 0.00015 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.0423 +/- 0.00962 uM
  • Patricia Cava-Mon...
 details
HMDB IDHMDB0000599
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003516
KNApSAcK IDNot Available
Chemspider ID25743
KEGG Compound IDC19368
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkChromium
METLIN IDNot Available
PubChem Compound27668
PDB IDNot Available
ChEBI ID49544
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. 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.
  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.
  5. Fooddata+, The Technical University of Denmark (DTU) [Link]