Showing metabocard for Molybdate (BMDB0012260)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:35:10 UTC
Update Date2020-04-22 15:49:21 UTC
BMDB IDBMDB0012260
Secondary Accession Numbers
  • BMDB12260
Metabolite Identification
Common NameMolybdate
DescriptionMolybdate, also known as molybdic acid, belongs to the class of inorganic compounds known as miscellaneous molybdates. These are inorganic compounds in which the largest metallic oxoanion is molybdate, to which either no atom or a non metal atom is bonded. Molybdate exists in all living organisms, ranging from bacteria to humans. Based on a literature review very few articles have been published on Molybdate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Molybdic acidGenerator
Chemical FormulaH2MoO4
Average Molecular Weight161.96
Monoisotopic Molecular Weight163.899616
IUPAC Namedihydroxydioxomolybdenumbis(ylium)
Traditional Namedihydroxydioxomolybdenumbis(ylium)
CAS Registry NumberNot Available
SMILES
O[Mo++](O)(=O)=O
InChI Identifier
InChI=1S/Mo.2H2O.2O/h;2*1H2;;/q+4;;;;/p-2
InChI KeyKAZXQXRLRUTACQ-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as miscellaneous molybdates. These are inorganic compounds in which the largest metallic oxoanion is molybdate, to which either no atom or a non metal atom is bonded.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassMiscellaneous mixed metal/non-metals
Sub ClassMiscellaneous metallic oxoanionic compounds
Direct ParentMiscellaneous molybdates
Alternative Parents
Substituents
  • Molybdate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.8ChemAxon
pKa (Strongest Acidic)-2.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area74.6 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity8.02 m³·mol⁻¹ChemAxon
Polarizability6.51 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0012260
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028899
KNApSAcK IDNot Available
Chemspider ID74188
KEGG Compound IDC06232
BioCyc IDCPD-3
BiGG IDNot Available
Wikipedia LinkMolybdate
METLIN IDNot Available
PubChem Compound82208
PDB IDNot Available
ChEBI ID25371
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available