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Bovine Rumen Metabolome Database



Showing metabocard for Ethanol (RMDB00108)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-06-08 14:25:04
Accession Number RMDB00108
Common Name Ethanol
Description Ethanol is a clear, colorless liquid rapidly absorbed from the gastrointestinal tract and distributed throughout the body. It has bactericidal activity and is used often as a topical disinfectant. It is widely used as a solvent and preservative in pharmaceutical preparations as well as serving as the primary ingredient in alcoholic beverages. Indeed, ethanol has widespread use as a solvent of substances intended for human contact or consumption, including scents, flavorings, colorings, and medicines. Ethanol has a depressive effect on the central nervous system and because of its psychoactive effects, it is considered a drug. Ethanol has a complex mode of action and affects multiple systems in the brain, most notably it acts as an agonist to the GABA receptors. Ethanol is metabolized by the body as an energy-providing carbohydrate nutrient, as it metabolizes into acetyl CoA, an intermediate common with glucose metabolism, that can be used for energy in the citric acid cycle or for biosynthesis. Ethanol within the body is converted into acetaldehyde by alcohol dehydrogenase and then into acetic acid by acetaldehyde dehydrogenase. The product of the first step of this breakdown, acetaldehyde, is more toxic than ethanol. Acetaldehyde is linked to most of the clinical effects of alcohol. It has been shown to increase the risk of developing cirrhosis of the liver,[77] multiple forms of cancer, and alcoholism. Industrially, ethanol is produced both as a petrochemical, through the hydration of ethylene, and biologically, by fermenting sugars with yeast. Small amounts of ethanol are endogenously produced by gut microflora through anaerobic fermentation. However most ethanol detected in biofluids and tissues likely comes from consumption of alcoholic beverages. Absolute ethanol or anhydrous alcohol generally refers to purified ethanol, containing no more than one percent water.
Synonyms
  1. 1-Hydroxyethane
  2. Absolute alcohol
  3. Absolute ethanol
  4. Absolute ethyl alcohol
  5. Aethanol
  6. Aethylalkohol
  7. Alcare Hand Degermer
  8. Alcohol
  9. Alcohols
  10. Alcool ethylique
  11. Alcool etilico
  12. Algrain
  13. Alkohol
  14. Alkoholu etylowego
  15. Anhydrol
  16. Anhydrous alcohol
  17. Cologne spirit
  18. Cologne spirits
  19. Dehydrated alcohol
  20. Dehydrated ethanol
  21. Denatured alcohol
  22. Denatured ethanol
  23. Desinfektol EL
  24. Distilled spirits
  25. Ethanol 200 proof
  26. Ethanol solution
  27. Ethicap
  28. Ethyl alc
  29. Ethyl alcohol
  30. Ethyl alcohol anhydrous
  31. Ethyl alcohol in alcoholic beverages
  32. Ethyl alcohol usp
  33. Ethyl hydrate
  34. Ethyl hydroxide
  35. Fermentation alcohol
  36. Grain alcohol
  37. Hinetoless
  38. Hydroxyethane
  39. Infinity Pure
  40. Jaysol
  41. Jaysol S
  42. Lux
  43. Methylcarbinol
  44. Molasses alcohol
  45. Potato alcohol
  46. Punctilious ethyl alcohol
  47. Pyro
  48. Spirit
  49. Spirits of wine
  50. Spirt
  51. Synasol
  52. Tecsol
  53. Tecsol C
  54. Thanol
  55. diluted Alcohol
  56. silent spirit
  57. undenatured Ethanol
Chemical IUPAC Name ethanol
Chemical Formula C2H6O
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Alcohols
Class
  • Alcohols and Polyols
Sub Class
  • Simple alcohols
Family
  • Food_Additive
Species
  • primary alcohol
Biofunction
  • Component of Androgen and estrogen metabolism; Component of Bile acid biosynthesis; Component of C21-Steroid hormone metabolism; Component of Fatty acid metabolism; Component of Glycerolipid metabolism; Component of Sulfur metabolism; Component of Tyrosine metabolism
Application
Source
  • Exogenous
Average Molecular Weight 46.068
Monoisotopic Molecular Weight 46.041866
Isomeric SMILES CCO
Canonical SMILES CCO
KEGG Compound ID C00469 Link Image
BioCyc ID ETOH Link Image
BiGG ID 35062 Link Image
Wikipedia Link Ethanol Link Image
METLIN ID 3203 Link Image
PubChem Compound 702 Link Image
PubChem Substance 2694 Link Image
ChEBI ID 16236 Link Image
CAS Registry Number 64-17-5
InChI Identifier InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3
Synthesis Reference Lashley, David. Process for producing an alcoholic sugar cane juice beverage. U.S. (1988), 3 pp. CODEN: USXXAM US 4784859 A 19881115 CAN 110:113222 AN 1989:113222
Melting Point (Experimental) -114.1 oC
Experimental Water Solubility 1000.0 mg/mL [RIDDICK,JA et al. (1986)] Source: PhysProp
Predicted Water Solubility 579.0 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Liquid
Experimental LogP/Hydrophobicity -0.31 [HANSCH,C ET AL. (1995)] Source: PhysProp
Predicted LogP/Hydrophobicity -0.40 [Predicted by ALOGPS]; -0.1 [Predicted by PubChem via XLOGP] 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 1A7S Link Image
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
Show Peaklist
Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location
  • Cytoplasm
  • Extracellular
  • peroxisome
Biofluid Location
  • Rumen
Tissue Location
Concentrations (Normal)
Biofluid Rumen
Value 202.41 +/- 55.52 uM
Age 4-5 years old
Sex Female (lactating)
Condition Normal (0% barley grain in dry matter (DM) basis)
Breed Holstein-Friesian
Experimental Condition Rumen fluid for the analysis was collected 15-20 minutes before the morning feeding on days 12 and 21 of each experimental period. Cows were fed once daily at 0800.
Comments Not Available
References
  • The rumen metabolome (in preparation)
Biofluid Rumen
Value 153.5 +/- 31.8 uM
Age N/A
Sex Female
Condition Normal
Breed Not Available
Experimental Condition Not Available
Comments Not Available
References
  • Metabolomics reveals unhealthy alterations in rumen metabolism with increased proportion of cereal grain in the diet of dairy cows. Burim N. Ametaj, Qendrim Zebeli, Fozia Saleem, Nikolaos Psychogios, Michael J. Lewis, Suzanna M. Dunn, Jianguo Xia and David S. Wishart Metabolomics 2010;6(4):583-594
Concentrations (Abnormal)
Biofluid Rumen
Value 241 +/- 96 uM
Age 4-5 years old
Sex Female (lactating)
Condition 15% barley grain in dry matter (DM) basis
Breed Holstein-Friesian
Experimental Condition Rumen fluid for the analysis was collected 15-20 minutes before the morning feeding on days 12 and 21 of each experimental period. Cows were fed once daily at 0800.
Comments Not Available
References
  • The rumen metabolome (in preparation)
Biofluid Rumen
Value 355 +/- 148 uM
Age 4-5 years old
Sex Female (lactating)
Condition 30% barley grain in dry matter (DM) basis
Breed Holstein-Friesian
Experimental Condition Rumen fluid for the analysis was collected 15-20 minutes before the morning feeding on days 12 and 21 of each experimental period. Cows were fed once daily at 0800.
Comments Not Available
References
  • The rumen metabolome (in preparation)
Biofluid Rumen
Value 425 +/- 259 uM
Age 4-5 years old
Sex Female (lactating)
Condition 45% barley grain in dry matter (DM) basis
Breed Holstein-Friesian
Experimental Condition Rumen fluid for the analysis was collected 15-20 minutes before the morning feeding on days 12 and 21 of each experimental period. Cows were fed once daily at 0800.
Comments Not Available
References
  • The rumen metabolome (in preparation)
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References
  1. Wikipedia Link Image