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

(2S, 3S)-3-methylaspartate compound structure

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


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:

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

Reactions known to both consume and produce the compound:

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

L-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

Revised 19-Aug-2009 by Caspi R , SRI International


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

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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 19.0 on Mon May 25, 2015, BIOCYC14A.