Record Information
Version1.0
Creation date2010-04-08 22:05:56 UTC
Update date2019-11-26 02:59:33 UTC
Primary IDFDB003764
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameBarium
DescriptionBarium belongs to the class of inorganic compounds known as miscellaneous mixed metal/non-metals. These are inorganic compounds containing non-metal as well as metal atoms but not belonging to afore mentioned classes. Barium is possibly neutral. Barium is found, on average, in the highest concentration within a few different foods, such as brazil nuts, common persimmons, and chinese cinnamons and in a lower concentration in dandelions, cabbages, and romaine lettuces. Barium has also been detected, but not quantified in, several different foods, such as cow milks, cow milks, cow milks, pepper (c. frutescens), and cow milks. This could make barium a potential biomarker for the consumption of these foods.
CAS Number7440-39-3
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
logP-0.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaBa
IUPAC namebarium
InChI IdentifierInChI=1S/Ba.2H
InChI KeyMUBOSUMMMUSVEO-UHFFFAOYSA-N
Isomeric SMILES[Ba]
Average Molecular Weight137.327
Monoisotopic Molecular Weight137.905241273
Classification
Description Belongs to the class of inorganic compounds known as miscellaneous mixed metal/non-metals. These are inorganic compounds containing non-metal as well as metal atoms but not belonging to afore mentioned classes.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassMiscellaneous mixed metal/non-metals
Sub ClassNot Available
Direct ParentMiscellaneous mixed metal/non-metals
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAcyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
SpectraNot Available
ChemSpider ID94609
ChEMBL IDNot Available
KEGG Compound IDC13881
Pubchem Compound ID104810
Pubchem Substance IDNot Available
ChEBI ID32595
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB04142
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDBARIUM
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDBA
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDBarium
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
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).