Showing metabocard for Vanadium (BMDB0002503)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:00:37 UTC
Update Date2020-06-04 19:40:53 UTC
MCDB ID BMDB0002503
Secondary Accession Numbers
  • BMDB02503
Metabolite Identification
Common NameVanadium
DescriptionVanadium, also known as V(3+) or vanadium 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. Vanadium is possibly soluble (in water) and possibly neutral. Vanadium is a potentially toxic compound.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
V(3+)ChEBI
VANADIUM ionChEBI
Vanadium(III)ChEBI
Vanadium, ion(3+)ChEBI
Chemical FormulaV
Average Molecular Weight50.9415
Monoisotopic Molecular Weight50.943963675
IUPAC Namevanadium(3+) ion
Traditional Namevanadium(3+) ion
CAS Registry Number7440-62-2
SMILES
[V+3]
InChI Identifier
InChI=1S/V/q+3
InChI KeyKOKKJWHERHSKEB-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 Point1910 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0ChemAxon
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-9000000000-04cac363fba8baca3d602016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-9000000000-04cac363fba8baca3d602016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-9000000000-04cac363fba8baca3d602016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-f32cb636023329dd90522016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-f32cb636023329dd90522016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-f32cb636023329dd90522016-08-03View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.00314 - 0.00628 uM details
Detected and Quantified0.00451 - 0.00687 uM details
Detected and Quantified0.00314 - 0.00707 uM details
Detected and Quantified0.00314 - 0.00530 uM details
Detected and Quantified0.00451 - 0.00687 uM details
Detected and Quantified1.453 - 1.943 uM
  • Z. Dobrzañski et ...
 details
Detected and Quantified1.1 +/- 0.3 uM details
Detected and Quantified1.4 +/- 0.4 uM details
Detected and Quantified1.06 +/- 0.2 uM details
Detected and Quantified1.4 +/- 0.3 uM details
Detected and Quantified0.071 +/- 0.00393 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.041 +/- 0.002 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.1 +/- 0.002 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.0491 +/- 0.00393 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.014 +/- 0.002 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.02 +/- 0.00393 uM
  • Patricia Cava-Mon...
 details
HMDB IDHMDB0002503
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID10659555
KEGG Compound IDC06267
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkVanadium
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID49948
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Lopez-Garcia I, Vinas P, Romero-Romero R, Hernandez-Cordoba M: Ion-exchange preconcentration and determination of vanadium in milk samples by electrothermal atomic absorption spectrometry. Talanta. 2009 Jun 15;78(4-5):1458-63. doi: 10.1016/j.talanta.2009.02.045. Epub 2009 Mar 5. [PubMed:19362217 ]
  2. 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 .
  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.