Showing metabocard for Boron (BMDB0002386)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:54:55 UTC
Update Date2020-06-04 20:32:26 UTC
MCDB ID BMDB0002386
Secondary Accession Numbers
  • BMDB02386
Metabolite Identification
Common NameBoron
DescriptionBoron, also known as b(3+) or boron, ion(3+), belongs to the class of inorganic compounds known as homogeneous metalloid compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a metalloid atom. Boron is possibly soluble (in water) and possibly neutral.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
b(3+)ChEBI
Boron, ion(3+)ChEBI
BHMDB
Boron metallicHMDB
Trona elemental boronHMDB
Chemical FormulaB
Average Molecular Weight10.811
Monoisotopic Molecular Weight11.009305466
IUPAC Nameboron(3+) ion
Traditional Nameboron(3+) ion
CAS Registry Number7440-42-8
SMILES
[B+3]
InChI Identifier
InChI=1S/B/q+3
InChI KeyFRWDHMWMHYXNLW-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous metalloid compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a metalloid atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous metalloid compounds
Sub ClassNot Available
Direct ParentHomogeneous metalloid compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous metalloid
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point2076 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.33ChemAxon
Physiological Charge3ChemAxon
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
Not Available
Concentrations
StatusValueReferenceDetails
Detected and Quantified45 - 90 uM
  • Underwood, E.J. T...
 details
Detected and Quantified55 +/- 9 uM details
Detected and Quantified58 +/- 15 uM details
Detected and Quantified56 +/- 11 uM details
Detected and Quantified54 +/- 7 uM details
Detected and Quantified3.70 - 9.25 uM
  • Semaghiul Birghil...
 details
Detected and Quantified18 - 88 uM
  • Š. ZAMBERLIN et a...
 details
HMDB IDHMDB0002386
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003575
KNApSAcK IDC00000601
Chemspider ID4574026
KEGG Compound IDC06266
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBoron
METLIN IDNot Available
PubChem Compound5460517
PDB IDNot Available
ChEBI ID30168
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. 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.
  2. Walter Mertz (2012). Underwood, E.J. Trace elements in human and animal nutrition. Academic Press, New York, NY. p. 436 (1977).. Academic Press.
  3. 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.
  4. Šimun Zamberlin, Neven Antunac, Jasmina Havranek, Dubravka Samaržija (2012). Š. ZAMBERLIN et al.: Mineral elements in milk and dairy products, Mljekarstvo 62 (2), 111-125. Mljekarstvo.