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Bovine Rumen Metabolome Database



Showing metabocard for Cadaverine (RMDB02322)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2006-05-22 15:17:48
Update Date 2009-08-27 15:58:40
Accession Number RMDB02322
Common Name Cadaverine
Description Cadaverine is a foul-smelling diamine formed by bacterial decarboxylation of lysine that occurs during protein hydrolysis during putrefaction of animal tissue. However, this diamine is not purely associated with putrefaction. It is also produced in small quantities by mammals. In particular, it is partially responsible for the distinctive smell of urine and semen. Elevated levels of cadaverine have been found in the urine of some patients with defects in lysine metabolism. Cadaverine is toxic in large doses. In rats it had a low acute oral toxicity of more than 2000 mg/kg body weight (Wikipedia).
Synonyms
  1. 1,5-Diaminopentane
  2. 1,5-Diaminopentane dihydrochloride
  3. 1,5-Pentamethylenediamine
  4. 1,5-Pentanediamine
  5. Cadaverin
  6. Cadaverine dihydrochloride
  7. Pentamethylenediamine
  8. Pentamethylenediamine dihydrochloride
  9. Pentane-1,5-diamine
Chemical IUPAC Name pentane-1,5-diamine
Chemical Formula C5H14N2
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Amines
Class
  • Polyamines
Sub Class
  • Miscellaneous polyamines
Family
  • Mammalian_Metabolite
Species
  • primary amine; primary aliphatic amine (alkylamine)
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 102.178
Monoisotopic Molecular Weight 102.115700
Isomeric SMILES NCCCCCN
Canonical SMILES NCCCCCN
KEGG Compound ID C01672 Link Image
BioCyc ID CADAVERINE Link Image
BiGG ID Not Available
Wikipedia Link Cadaverine Link Image
METLIN ID 3236 Link Image
PubChem Compound 273 Link Image
PubChem Substance 7889119 Link Image
ChEBI ID 18127 Link Image
CAS Registry Number 462-94-2
InChI Identifier InChI=1/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
Synthesis Reference Not Available
Melting Point (Experimental) 9 oC
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1000 mg/mL at 25 oC [MEYLAN,WM et al. (1996)]; 89.1 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 2
State Liquid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -0.27 [Predicted by ALOGPS]; -0.3 [Predicted by PubChem via XLOGP]; -0.15 [MEYLAN,WM & HOWARD,PH (1995)] 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 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 (Predicted from LogP)
Biofluid Location
  • Rumen
Tissue Location
Concentrations (Normal)
Biofluid Rumen
Value 65.63 +/- 22.84 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 13.1 +/- 3.2 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 51 +/- 10 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 125 +/- 24 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 122 +/- 44 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