Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites MAYBE down
12/28 - 12/31
for maintenance.
twitter

MetaCyc Compound: D-isoleucine

Superclasses: an amino acid or its derivative an amino acid a D-amino acid

Chemical Formula: C6H13NO2

Molecular Weight: 131.17 Daltons

Monoisotopic Molecular Weight: 131.0946286667 Daltons

SMILES: CCC(C)C([N+])C([O-])=O

InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1

InChIKey: InChIKey=AGPKZVBTJJNPAG-CRCLSJGQSA-N

Unification Links: ChEBI:27730 , MetaboLights:MTBLC27730 , PubChem:6950183

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 48.65456 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
a D-amino acid[in] + an electron-transfer-related quinone[CCO-OUT-CCO-IN] + H2O[in] → a 2-oxo carboxylate[in] + ammonium[in] + an electron-transfer-related quinol[CCO-OUT-CCO-IN]
a D-amino acid + oxygen + H2O → ammonium + hydrogen peroxide + a 2-oxo carboxylate

Reactions known to produce the compound:

Not in pathways:
a D-aminoacyl-tRNA + H2O → a D-amino acid + a tRNA + 2 H+
a protein with N-terminal D-amino acid + H2O → a peptide + a D-amino acid

In Reactions of unknown directionality:

Not in pathways:
acetyl-CoA + a D-amino acid = an N-acetyl-D-amino acid + coenzyme A + H+
an N-carbamoyl D-amino acid + H+ + H2O = a D-amino acid + ammonium + CO2
an N-acylated-D-amino acid + H2O = a D-amino acid + a carboxylate
an L-amino acid = a D-amino acid


a 5-L-glutamyl-[peptide] + an amino acid = a 5-L-glutamyl-amino acid + a peptide

In Redox half-reactions:
a 2-oxo carboxylate[in] + ammonium[in] + 2 H+[in] + 2 e-a D-amino acid[in] + H2O[in]

Credits:
Created 22-Jan-2010 by Caspi R , SRI International


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Sun Dec 28, 2014, biocyc11.