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Bovine Rumen Metabolome Database



Showing metabocard for Beta-D-Fucose (RMDB03081)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2006-05-22 16:12:31
Update Date 2009-05-05 20:59:30
Accession Number RMDB03081
Common Name Beta-D-Fucose
Description It is Hexose sugar. Beta-D-fucose is hydrolyzed by Triton X beta- glucosidase.
Synonyms
  1. FCB
  2. beta-D-Fuc
  3. beta-D-fucopyranose
  4. 6-deoxy-beta-D-galactopyranose
  5. b-D-fucopyranose
  6. beta-delta-Fuc
  7. beta-delta-fucopyranose
  8. 6-deoxy-beta-delta-galactopyranose
  9. beta-D-Fucose
Chemical IUPAC Name (2R,3R,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol
Chemical Formula C6H12O5
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Carbohydrates and Carbohydrate conjugates
Class
  • Carbohydrates
Sub Class
  • Monosaccharides
Family
  • Mammalian_Metabolite
Species
  • hemiacetal; secondary alcohol; 1,2-diol; heterocyclic compound
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 164.156
Monoisotopic Molecular Weight 164.068481
Isomeric SMILES C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES CC1OC(O)C(O)C(O)C1O
KEGG Compound ID C02095 Link Image
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link FCB Link Image
METLIN ID 3284 Link Image
PubChem Compound 439650 Link Image
PubChem Substance 8144512 Link Image
ChEBI ID 27442 Link Image
CAS Registry Number 28161-52-6
InChI Identifier InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 827.00006 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -2.39 [Predicted by ALOGPS]; -1.4 [Predicted by PubChem via XLOGP]; -1.56 [MEYLAN,WM & HOWARD,PH (1995)] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
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 PDB File Show
Experimental PDB Structure
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Show Image
Show Peaklist
Predicted 13C NMR Spectrum Show Image
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Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location
  • Cytoplasm (Predicted from LogP)
Biofluid Location
  • Rumen
Tissue Location Not Available
Concentrations (Normal)
Biofluid Rumen
Value 763.813 +/- 751.731 uM
Age N/A
Sex N/A
Condition Normal
Breed Not Available
Experimental Condition Not Available
Comments Not Available
References
  • The rumen metabolome (in preparation)
Concentrations (Abnormal)
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References
  1. Wikipedia Link Image