Showing metabocard for Molybdenum (BMDB0001302)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:43:50 UTC
Update Date2020-06-04 20:44:33 UTC
MCDB ID BMDB0001302
Secondary Accession Numbers
  • BMDB01302
Metabolite Identification
Common NameMolybdenum
DescriptionMolybdenum, also known as Mo, 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. Molybdenum exists as a solid, possibly soluble (in water), and possibly neutral molecule. Molybdenum exists in all living organisms, ranging from bacteria to humans. In cattle, molybdenum is involved in the metabolic pathway called the caffeine metabolism pathway. Molybdenum is a potentially toxic compound.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
MoHMDB
MolybdaenHMDB
MolybdeneHMDB
Molybdenum atomHMDB
Molybdenum elementalHMDB
Molybdenum insoluble compoundsHMDB
Molybdenum metallicHMDB
Chemical FormulaMo
Average Molecular Weight95.94
Monoisotopic Molecular Weight97.905407846
IUPAC Namemolybdenum(2+) ion
Traditional Namemolybdenum(2+) ion
CAS Registry Number7439-98-7
SMILES
[Mo++]
InChI Identifier
InChI=1S/Mo/q+2
InChI KeyMMVYPOCJESWGTC-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 Point2622 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0ChemAxon
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, Positivesplash10-0002-9000000000-b89a284902f26c13cae12015-09-14View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-b89a284902f26c13cae12015-09-14View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-b89a284902f26c13cae12015-09-14View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-d12f288be7c114068ddf2015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-d12f288be7c114068ddf2015-09-15View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-d12f288be7c114068ddf2015-09-15View Spectrum
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.154 +/- 0.0021 uM details
Detected and Quantified0.163 +/- 0.00104 uM details
Detected and Quantified0.2 +/- 0.0021 uM details
Detected and Quantified0.41 uM
  • Semaghiul Birghil...
 details
Detected and Quantified0.26 +/- 0.02 uM details
Detected and Quantified0.25 +/- 0.01 uM details
Detected and Quantified0.25 +/- 0.02 uM details
Detected and Quantified0.29 +/- 0.01 uM details
Detected and Quantified0.417 - 1.876 uM
  • Semaghiul Birghil...
 details
Detected and Quantified0.108 - 0.111 uM
  • Z. Dobrzański, R....
 details
Detected and Quantified0.22 +/- 0.0094 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.2 +/- 0.0042 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.23 +/- 0.0104 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.161 +/- 0.0042 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.2 +/- 0.021 uM
  • Patricia Cava-Mon...
 details
Detected and Quantified0.11 +/- 0.0073 uM
  • Patricia Cava-Mon...
 details
HMDB IDHMDB0001302
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003653
KNApSAcK IDNot Available
Chemspider ID161267
KEGG Compound IDC00150
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMolybdenum
METLIN IDNot Available
PubChem Compound185498
PDB IDNot Available
ChEBI ID28685
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: Liquid chromatography-electrothermal atomic absorption spectrometry for the separation and preconcentration of molybdenum in milk and infant formulas. Anal Chim Acta. 2007 Aug 6;597(2):187-94. doi: 10.1016/j.aca.2007.07.003. Epub 2007 Jul 5. [PubMed:17683729 ]
  2. 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.
  3. 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.
  4. 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.
  5. 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.