2-Methylpentanedioate
PubChem CID: 22174061
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| Compound Synonyms | 2-Methylpentanedioate, 2-methylglutarate(2-), CHEBI:84980, DTXSID801288118, Pentanedioic acid, 2-methyl-, ion(2-), 305-73-7, Q27158237 |
|---|---|
| Topological Polar Surface Area | 80.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | Methylglutamic acid, also known as methylglutamate, is a member of the class of compounds known as methyl-branched fatty acids. Methyl-branched fatty acids are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Methylglutamic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Methylglutamic acid can be found in tamarind, which makes methylglutamic acid a potential biomarker for the consumption of this food product. N-Methyl-L-glutamic acid (methylglutamate) is a chemical derivative of glutamic acid in which a methyl group has been added to the amino group. It is an intermediate in methane metabolism. Biosynthetically, it is produced from methylamine and glutamic acid by the enzyme methylamine—glutamate N-methyltransferase. It can also be demethylated by methylglutamate dehydrogenase to regenerate glutamic acid . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 130.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpentanedioate |
| Nih Violation | False |
| Class | Fatty Acyls |
| Xlogp | 1.4 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C6H8O4-2 |
| Inchi Key | AQYCMVICBNBXNA-UHFFFAOYSA-L |
| Rotatable Bond Count | 2.0 |
| Synonyms | Methylglutamate |
| Compound Name | 2-Methylpentanedioate |
| Kingdom | Organic compounds |
| Exact Mass | 144.042 |
| Formal Charge | -2.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 144.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 144.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/p-2 |
| Smiles | CC(CCC(=O)[O-])C(=O)[O-] |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Methyl-branched fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Source_db:fooddb_chem_all