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 |
---|