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 22:19:05 UTC |
|---|
| Update Date | 2020-06-04 20:29:50 UTC |
|---|
| BMDB ID | BMDB0000056 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | Beta-Alanine |
|---|
| Description | beta-Alanine, also known as 3-aminopropanoate or bala, belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. beta-Alanine is a very strong basic compound (based on its pKa). beta-Alanine exists in all living species, ranging from bacteria to humans. beta-Alanine is a potentially toxic compound. beta-Alanine, with regard to humans, has been found to be associated with several diseases such as crohn's disease, alzheimer's disease, methylmalonate semialdehyde dehydrogenase deficiency, and frontotemporal dementia; beta-alanine has also been linked to the inborn metabolic disorder dihydropyrimidine dehydrogenase deficiency. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 3-Aminopropanoic acid | ChEBI | | 3-Aminopropionic acid | ChEBI | | BAla | ChEBI | | beta-Aminopropionic acid | ChEBI | | H-beta-Ala-OH | ChEBI | | Omega-aminopropionic acid | ChEBI | | 3-Aminopropanoate | Kegg | | Abufene | Kegg | | 3-Aminopropionate | Generator | | b-Aminopropionate | Generator | | b-Aminopropionic acid | Generator | | beta-Aminopropionate | Generator | | Β-aminopropionate | Generator | | Β-aminopropionic acid | Generator | | H-b-Ala-OH | Generator | | H-Β-ala-OH | Generator | | Omega-aminopropionate | Generator | | b-Alanine | Generator | | Β-alanine | Generator | | 2-Carboxyethylamine | HMDB | | 3-Amino-propanoate | HMDB | | 3-Amino-propanoic acid | HMDB | | b-Aminopropanoate | HMDB | | b-Aminopropanoic acid | HMDB | | beta Alanine | HMDB | | beta-Aminopropanoate | HMDB | | beta-Aminopropanoic acid | HMDB | | 3 Aminopropionic acid | HMDB | | β-Aminopropanoic acid | PhytoBank | | omega-Aminopropanoic acid | PhytoBank | | ω-Aminopropanoic acid | PhytoBank | | ω-Aminopropionic acid | PhytoBank | | beta-Alanine | PhytoBank |
|
|---|
| Chemical Formula | C3H7NO2 |
|---|
| Average Molecular Weight | 89.0932 |
|---|
| Monoisotopic Molecular Weight | 89.047678473 |
|---|
| IUPAC Name | Not Available |
|---|
| Traditional Name | Not Available |
|---|
| CAS Registry Number | 107-95-9 |
|---|
| SMILES | Not Available |
|---|
| InChI Identifier | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) |
|---|
| InChI Key | UCMIRNVEIXFBKS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
| Class | Carboxylic acids and derivatives |
|---|
| Sub Class | Amino acids, peptides, and analogues |
|---|
| Direct Parent | Beta amino acids and derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - Beta amino acid or derivatives
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Amine
- Organic oxide
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Organic nitrogen compound
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Detected and Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | 200 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 545.0 mg/mL | Not Available | | LogP | -3.05 | TSAI,RS ET AL. (1991) |
|
|---|
| Predicted Properties | Not Available |
|---|
| Spectra |
|---|
| Spectra | |
|---|
| Biological Properties |
|---|
| Cellular Locations | |
|---|
| Biospecimen Locations | - Blood
- Kidney
- Liver
- Longissimus Thoracis Muscle
- Mammary Gland
- Muscle
- Pancreas
- Placenta
- Prostate Tissue
- Ruminal Fluid
- Semen
- Semimembranosus Muscle
- Testis
|
|---|
| Pathways | |
|---|
| Normal Concentrations |
|---|
| |
| Blood | Detected and Quantified | 8 +/- 1 uM | Not Specified | Not Specified | Normal | | details | | Blood | Detected and Quantified | 8.8-9.1 uM | Not Specified | Not Specified | Normal | | details | | Kidney | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Liver | Detected and Quantified | 750 +/- 137 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Longissimus Thoracis Muscle | Detected and Quantified | 149 +/- 57 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Mammary Gland | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Mammary Gland | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Muscle | Detected and Quantified | 84-155 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Pancreas | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Placenta | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Prostate Tissue | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 3-33 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 72 +/- 38 uM | Not Specified | Not Specified | Normal | | details | | Semen | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Semimembranosus Muscle | Detected and Quantified | 122 +/- 37 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | | Testis | Detected and Quantified | 48 +/- 13 nmol/g of tissue | Not Specified | Not Specified | Normal | | details |
|
|---|
| Abnormal Concentrations |
|---|
| Not Available |
|---|
| External Links |
|---|
| HMDB ID | HMDB0000056 |
|---|
| DrugBank ID | DB03107 |
|---|
| Phenol Explorer Compound ID | Not Available |
|---|
| FooDB ID | FDB002253 |
|---|
| KNApSAcK ID | C00001333 |
|---|
| Chemspider ID | 234 |
|---|
| KEGG Compound ID | C00099 |
|---|
| BioCyc ID | B-ALANINE |
|---|
| BiGG ID | 33848 |
|---|
| Wikipedia Link | Beta-Alanine |
|---|
| METLIN ID | 5119 |
|---|
| PubChem Compound | 239 |
|---|
| PDB ID | Not Available |
|---|
| ChEBI ID | 16958 |
|---|
| References |
|---|
| Synthesis Reference | Buc, Saul R.; Ford, Jared H.; Wise, E. C. Improved synthesis of b-alanine. Journal of the American Chemical Society (1945), 67 92-4. |
|---|
| Material Safety Data Sheet (MSDS) | Not Available |
|---|
| General References | Not Available |
|---|
