Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2022-09-09 21:06:30 UTC |
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Update Date | 2022-09-22 18:35:15 UTC |
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HMDB ID | HMDB0341425 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 4-Methylglutamic acid |
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Description | 4-Methylglutamic acid, also known as 4-methylglutamate, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 4-Methylglutamic acid is a very strong basic compound (based on its pKa). 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 can also be demethylated by methylglutamate dehydrogenase to regenerate glutamic acid. Biosynthetically, it is produced from methylamine and glutamic acid by the enzyme methylamine—glutamate N-methyltransferase. It is an intermediate in methane metabolism. |
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Structure | InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11) |
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Synonyms | Value | Source |
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4-Methylglutamate | Generator | 4-Methylglutamic acid, (DL)-isomer | MeSH | 4-Methylglutamic acid, (L)-isomer | MeSH | Threo-gamma-methylglutamate | MeSH | 4-Methylglutamic acid, 2-(13)C-labeled, (DL)-isomer | MeSH | 4-Methylglutamic acid, threo-(L)-isomer | MeSH | 4-Methylglutamic acid, sodium salt, (erythro)-isomer | MeSH | 2S,4R-4-Methylglutamate | MeSH | 2-Amino-4-methylpentanedioate | Generator |
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Chemical Formula | C6H11NO4 |
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Average Molecular Weight | 161.157 |
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Monoisotopic Molecular Weight | 161.068807838 |
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IUPAC Name | 2-amino-4-methylpentanedioic acid |
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Traditional Name | 2-amino-4-methylpentanedioic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(CC(N)C(O)=O)C(O)=O |
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InChI Identifier | InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11) |
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InChI Key | KRKRAOXTGDJWNI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Alpha amino acids |
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Alternative Parents | |
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Substituents | - Alpha-amino acid
- Amino fatty acid
- Branched fatty acid
- Methyl-branched fatty acid
- Dicarboxylic acid or derivatives
- Fatty acyl
- Fatty acid
- Amino acid
- Carboxylic acid
- Organic nitrogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Not Available | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available |
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General References | - Meister I, Zhang P, Sinha A, Skold CM, Wheelock AM, Izumi T, Chaleckis R, Wheelock CE: High-Precision Automated Workflow for Urinary Untargeted Metabolomic Epidemiology. Anal Chem. 2021 Mar 30;93(12):5248-5258. doi: 10.1021/acs.analchem.1c00203. Epub 2021 Mar 19. [PubMed:33739820 ]
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