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CHEBI:37081 - 3-aminobutanoic acid
| Formula | C4H9NO2 |
| Net Charge | 0 |
| Average Mass | 103.121 |
| Monoisotopic Mass | 103.06333 |
| SMILES | CC(N)CC(=O)O |
| InChI | InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7) |
| InChIKey | OQEBBZSWEGYTPG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-aminobutanoic acid (CHEBI:37081) has functional parent butyric acid (CHEBI:30772) |
| 3-aminobutanoic acid (CHEBI:37081) has role metabolite (CHEBI:25212) |
| 3-aminobutanoic acid (CHEBI:37081) is a monocarboxylic acid (CHEBI:25384) |
| 3-aminobutanoic acid (CHEBI:37081) is a β-amino acid (CHEBI:33706) |
| 3-aminobutanoic acid (CHEBI:37081) is conjugate acid of 3-aminobutyrate (CHEBI:87997) |
| 3-aminobutanoic acid (CHEBI:37081) is tautomer of 3-aminobutanoic acid zwitterion (CHEBI:150018) |
| Incoming Relation(s) |
| 3-aminobutyryl-CoA (CHEBI:28317) has functional parent 3-aminobutanoic acid (CHEBI:37081) |
| 3-aminobutyrate (CHEBI:87997) is conjugate base of 3-aminobutanoic acid (CHEBI:37081) |
| 3-aminobutanoic acid zwitterion (CHEBI:150018) is tautomer of 3-aminobutanoic acid (CHEBI:37081) |
| IUPAC Name |
|---|
| 3-aminobutanoic acid |
| Synonyms | Source |
|---|---|
| beta-Aminobutyric acid | ChemIDplus |
| 3-Aminobutyric acid | ChemIDplus |
| 3-methyl-β-alanine | ChEBI |
| 3-aminobutanoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031654 | HMDB |
| CPD-4748 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1720563 | Reaxys |
| CAS:541-48-0 | ChemIDplus |
| Citations |
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