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Bovine Metabolome Database



Showing metabocard for N-Acetylornithine (BMDB03357)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2006-08-12 20:18:46
Update Date 2009-05-05 20:59:36
Accession Number BMDB03357
Common Name N-Acetylornithine
Description N-Acetylornithine is a minor components of deproteinized blood plasma of human blood. Human blood plasma contains a variable amount of acetylornithine, averaging 1.1 +/- 0.4 mumol/l (range 0.8--0.2 mumol/l). Urine contains a very small amount of acetylornithine, approximately 1 nmol/mg creatinine (1 mumol/day). (PMID: 508804)
Synonyms
  1. (2S)-2-acetamido-5-aminopentanoic acid
  2. AOR
  3. N(2)-acetyl-L-ornithine
  4. N2-Acetyl-L-ornithine
  5. (2S)-2-acetamido-5-aminopentanoate
Chemical IUPAC Name (2S)-2-acetamido-5-aminopentanoic acid
Chemical Formula C7H14N2O3
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Amino acids and Amino Acid conjugates
Class
  • Amino Acids
Sub Class
  • NA
Family
  • Mammalian_Metabolite
Species
  • primary amine; primary aliphatic amine (alkylamine); carboxylic acid; secondary carboxylic acid amide
Biofunction
  • Protein synthesis, amino acid biosynthesis
Application
Source
  • Endogenous
Average Molecular Weight 174.198
Monoisotopic Molecular Weight 174.100449
Isomeric SMILES CC(=O)N[C@@H](CCCN)C(O)=O
Canonical SMILES CC(=O)NC(CCCN)C(O)=O
KEGG Compound ID C00437 Link Image
BioCyc ID N-ALPHA-ACETYLORNITHINE Link Image
BiGG ID 34982 Link Image
Wikipedia Link Not Available
METLIN ID Not Available
PubChem Compound 439232 Link Image
PubChem Substance 3726 Link Image
ChEBI ID 16543 Link Image
CAS Registry Number Not Available
InChI Identifier InChI=1/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 37.8 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity -0.896 Source: PhysProp
Predicted LogP/Hydrophobicity -3 [Predicted by PubChem via XLOGP]; -2.73 [Predicted by ALOGPS] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Show
SDF File Show
PDB File Show
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 Show Image
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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 Not Available
Biofluid Location Not Available
Tissue Location Not Available
Concentrations (Normal)
Biofluid Breast_Milk
Value 0.632 +/- 0.021 uM
Age N/A
Sex N/A
Condition Normal
Comments 2% milk
References
Biofluid Breast_Milk
Value 0.5 +/- 0.012 uM
Age N/A
Sex N/A
Condition Normal
Comments 1% Milk
References
Biofluid Breast_Milk
Value 0.315 +/- 0.01 uM
Age N/A
Sex N/A
Condition Normal
Comments Skim Milk
References
Biofluid Breast_Milk
Value 0.431 +/- 0.031 uM
Age N/A
Sex N/A
Condition Normal
Comments 3.25% milk
References
Concentrations (Abnormal) Not Available
Pathway Names
  • Urea Cycle and Metabolism of Amino Groups
HMDB Pathways
Name Urea Cycle and Metabolism of Amino Groups
Image Show Link Image
KEGG Pathways
Name Urea Cycle and Metabolism of Amino Groups
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SimCell Pathways
Name Urea Cycle and Metabolism of Amino Groups
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Graph Show Link Image
SBML Download (XML) Link Image
General References Not Available