Not Available
Record Information
Version1.0
Created at2020-04-17 19:16:41 UTC
Updated at2020-11-18 16:39:28 UTC
CannabisDB IDCDB005173
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameMolybdate
DescriptionMolybdate is also known as molybdic acid. Molybdate is an extremely strong acidic compound (based on its pKa). Molybdate exists in all living organisms, ranging from bacteria to humans. Molybdate is involved in the molybdenum cofactor biosynthesis pathway. Molybdate is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
Synonyms
ValueSource
Molybdic acidGenerator
Chemical FormulaH6MoO4
Average Molecular Weight165.99
Monoisotopic Molecular Weight167.9309
IUPAC Namedihydroxydioxomolybdenumbis(ylium)
Traditional Namedihydroxydioxomolybdenumbis(ylium)
CAS Registry Number14259-85-9
SMILES
O.O.[OH-].[OH-].[Mo+4]
InChI Identifier
InChI=1S/Mo.4H2O/h;4*1H2/q+4;;;;/p-2
InChI KeyGDXTWKJNMJAERW-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
Not Available
Physical Properties
StateNot Available
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 FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal Bindings
Protein NameGene NameLocusUniprot IDDetails
GephyrinGPHN14q23.3Q9NQX3 details
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0012260
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB 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
General ReferencesNot Available