Record Information
Version1.0
Creation date2011-09-21 01:47:00 UTC
Update date2019-11-26 03:21:29 UTC
Primary IDFDB028899
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameMolybdate
DescriptionMolybdate, also known as [moo2(OH)2] or H2MOO4, 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 is a very weakly acidic compound (based on its pKa). Molybdate has been detected, but not quantified in, several different foods, such as other bread, horned melons, chicory roots, purple mangosteens, and tartary buckwheats. This could make molybdate a potential biomarker for the consumption of these foods.
CAS Number7782-91-4
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
logP-1.8ChemAxon
pKa (Strongest Acidic)12.08ChemAxon
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 FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaH2MoO4
IUPAC namedioxomolybdenumdiol
InChI IdentifierInChI=1S/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2
InChI KeyVLAPMBHFAWRUQP-UHFFFAOYSA-L
Isomeric SMILESO[Mo](O)(=O)=O
Average Molecular Weight161.95
Monoisotopic Molecular Weight163.900716398
Classification
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 Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-0c995c2675b9dc7328d32015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-715bd2f482e6d6ae96e52015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-1900000000-b9657af70b38b252a9642015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-3430f802de06e4388b6c2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-1900000000-7a625ca3fa73123682eb2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0900000000-823fafde4fdd7f6219c22015-09-15View Spectrum
NMRNot Available
ChemSpider ID74188
ChEMBL IDNot Available
KEGG Compound IDC06232
Pubchem Compound ID82208
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB12260
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference