You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Bovine Metabolome Database.
| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-09-30 22:19:32 UTC |
|---|
| Update Date | 2020-05-21 16:28:59 UTC |
|---|
| BMDB ID | BMDB0000092 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | Dimethylglycine |
|---|
| Description | Dimethylglycine, also known as N-methylsarcosine, 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). Dimethylglycine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Dimethylglycine exists in all living organisms, ranging from bacteria to humans. Dimethylglycine is a potentially toxic compound. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| (Dimethylamino)acetic acid | ChEBI | | 2-(Dimethylamino)acetic acid | ChEBI | | N,N-Dimethylaminoacetic acid | ChEBI | | N-Methylsarcosine | ChEBI | | (Dimethylamino)acetate | Generator | | 2-(Dimethylamino)acetate | Generator | | N,N-Dimethylaminoacetate | Generator | | N,N-Dimethylglycine | HMDB | | N-Methylsarcosine N,N-dimethyl-glycine | HMDB | | Dimethylglycine, monopotassium salt | HMDB | | Dimethylglycine, sodium salt | HMDB | | Dimethylglycine, calcium salt | HMDB | | Dimethylglycine monohydrochloride | HMDB | | 2-(N,N-Dimethylamino)acetic acid | HMDB | | DMG | HMDB | | Dimethylglycine | HMDB |
|
|---|
| Chemical Formula | C4H9NO2 |
|---|
| Average Molecular Weight | 103.1198 |
|---|
| Monoisotopic Molecular Weight | 103.063328537 |
|---|
| IUPAC Name | Not Available |
|---|
| Traditional Name | Not Available |
|---|
| CAS Registry Number | 1118-68-9 |
|---|
| SMILES | Not Available |
|---|
| InChI Identifier | InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) |
|---|
| InChI Key | FFDGPVCHZBVARC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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). |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
| Class | Carboxylic acids and derivatives |
|---|
| Sub Class | Amino acids, peptides, and analogues |
|---|
| Direct Parent | Alpha amino acids |
|---|
| Alternative Parents | |
|---|
| Substituents | - Alpha-amino acid
- Tertiary amine
- Tertiary aliphatic amine
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Carbonyl group
- Amine
- Hydrocarbon derivative
- Organic oxide
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Detected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | 185.5 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | -2.91 | TSAI,RS ET AL. (1991) |
|
|---|
| Predicted Properties | Not Available |
|---|
| Spectra |
|---|
| Spectra | |
|---|
| Biological Properties |
|---|
| Cellular Locations | |
|---|
| Biospecimen Locations | - Blood
- Kidney
- Liver
- Milk
- Placenta
- Ruminal Fluid
|
|---|
| Pathways | |
|---|
| Normal Concentrations |
|---|
| |
| Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Kidney | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Liver | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Placenta | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
|
|---|
| Abnormal Concentrations |
|---|
| |
| Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | All Mycobacterium avium subsp. paratuberculosis-infected | | details | | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | High dose Mycobacterium avium subsp. paratuberculosis-infected | | details | | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Low dose Mycobacterium avium subsp. paratuberculosis-infected | | details |
|
|---|
| External Links |
|---|
| HMDB ID | HMDB0000092 |
|---|
| DrugBank ID | DB02083 |
|---|
| Phenol Explorer Compound ID | Not Available |
|---|
| FooDB ID | FDB021893 |
|---|
| KNApSAcK ID | Not Available |
|---|
| Chemspider ID | 653 |
|---|
| KEGG Compound ID | C01026 |
|---|
| BioCyc ID | DIMETHYL-GLYCINE |
|---|
| BiGG ID | 36652 |
|---|
| Wikipedia Link | Dimethylglycine |
|---|
| METLIN ID | 277 |
|---|
| PubChem Compound | 673 |
|---|
| PDB ID | Not Available |
|---|
| ChEBI ID | 17724 |
|---|
| References |
|---|
| Synthesis Reference | Lai, Mei-Chin; Wang, Chia-Chi; Chuang, Ming-Jen; Wu, Yen-Chi; Lee, Yu-Chien. Effects of substrate and potassium on the betaine-synthesizing enzyme glycine sarcosine dimethylglycine N-methyltransferase from a halophilic methanoarchaeon Methanohalophilus portucalensis. Res Microbiol. 2006 Dec;157(10):948-55. Epub 2006 Oct 26. Pubmed: 17098399 |
|---|
| Material Safety Data Sheet (MSDS) | Not Available |
|---|
| General References | - Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. [PubMed:29565828 ]
- Xi X, Kwok LY, Wang Y, Ma C, Mi Z, Zhang H: Ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry MS(E)-based untargeted milk metabolomics in dairy cows with subclinical or clinical mastitis. J Dairy Sci. 2017 Jun;100(6):4884-4896. doi: 10.3168/jds.2016-11939. Epub 2017 Mar 23. [PubMed:28342601 ]
|
|---|
