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Bovine Rumen Metabolome Database

Showing metabocard for Boron (RMDB02386)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2006-07-16 12:50:55
Update Date 2009-04-01 11:23:06
Accession Number RMDB02386
Common Name Boron
Description Boron may be an essential nutrient for animals and humans. Physiologically, this metal/element exists as an ion in the body. Dietary boron influences the activity of many metabolic enzymes, as well as the metabolism of steroid hormones and several micronutrients, including calcium, magnesium, and vitamin D. Boron may also play a role in improving arthritis, plasma lipid profiles, and brain function.
  1. B
  2. Boron metallic
  3. Trona elemental boron
Chemical IUPAC Name boron
Chemical Formula [B]3+
Chemical Structure Structure
Chemical Taxonomy
  • Inorganic
Super Class
  • Inorganic compounds
  • Inorganic Ions and Gases
Sub Class
  • Non metals
  • Mammalian_Metabolite
  • Essential minerals
  • Exogenous
Average Molecular Weight 10.811
Monoisotopic Molecular Weight 11.009310
Isomeric SMILES [B+3]
Canonical SMILES [B+3]
KEGG Compound ID C06266 Link Image
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Boron Link Image
METLIN ID Not Available
PubChem Compound 5462311 Link Image
PubChem Substance 24852427 Link Image
ChEBI ID 27560 Link Image
CAS Registry Number 7440-42-8
InChI Identifier InChI=1/B/q+3
Synthesis Reference Not Available
Melting Point (Experimental) 2076 oC
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility Not Available Calculated using ALOGPS
Physiological Charge 3
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity Not Available Calculated using ALOGPS
Material Safety Data Sheet (MSDS)
MOL File Show Link Image
SDF File Show Link Image
PDB File Show Link Image
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Not Available
Not Available
Predicted 13C NMR Spectrum Not Available
Not Available
Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
Biofluid Location
  • Rumen
Tissue Location
Concentrations (Normal)
Biofluid Rumen
Value 1187.75 +/- 105.87 uM
Age N/A
Sex Female
Condition Normal
Breed Not Available
Experimental Condition Not Available
Comments Not Available
  • The rumen metabolome (in preparation)
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References
  1. Wikipedia Link Image