Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: (2S, 3S)-3-methylaspartate

Synonyms: β-methylaspartate, L-threo-3-methylaspartate, L-threo-3-methyl-aspartate

Superclasses: an amino acid or its derivative an amino acid a modified amino acid a methylated amino acid a C-methylated amino acid

Chemical Formula: C5H8NO4

Molecular Weight: 146.12 Daltons

Monoisotopic Molecular Weight: 147.0531577825 Daltons

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

InChI: InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/p-1/t2-,3-/m0/s1

InChIKey: InChIKey=LXRUAYBIUSUULX-HRFVKAFMSA-M

Unification Links: CAS:31571-69-4 , ChEBI:16378 , ChemSpider:5256732 , KEGG:C03618 , PubChem:6857392

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -84.0831 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

isoleucine biosynthesis III :
(2S, 3S)-3-methylaspartate + 2-oxoglutarate → L-glutamate + methyloxaloacetate

Reactions known to both consume and produce the compound:

glutamate degradation VI (to pyruvate) :
(2S, 3S)-3-methylaspartate ↔ L-glutamate
(2S, 3S)-3-methylaspartate ↔ ammonium + mesaconate

isoleucine biosynthesis III :
(2S, 3S)-3-methylaspartate ↔ L-glutamate

methylaspartate cycle :
(2S, 3S)-3-methylaspartate ↔ L-glutamate
(2S, 3S)-3-methylaspartate ↔ ammonium + mesaconate

In Reactions of unknown directionality:

Not in pathways:
a 5-L-glutamyl-[peptide] + an amino acid = a 5-L-glutamyl-amino acid + a peptide

Credits:
Revised 19-Aug-2009 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 Nov 23, 2014, BIOCYC14A.