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CHEBI:64441 - 4-(5-ethyl-2-thienyl)-4-oxobutyric acid
| Formula | C10H12O3S |
| Net Charge | 0 |
| Average Mass | 212.270 |
| Monoisotopic Mass | 212.05072 |
| SMILES | CCc1ccc(C(=O)CCC(=O)O)s1 |
| InChI | InChI=1S/C10H12O3S/c1-2-7-3-5-9(14-7)8(11)4-6-10(12)13/h3,5H,2,4,6H2,1H3,(H,12,13) |
| InChIKey | CQZPZVGEZHGESA-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | hapten Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(5-ethyl-2-thienyl)-4-oxobutyric acid (CHEBI:64441) has functional parent butyric acid (CHEBI:30772) |
| 4-(5-ethyl-2-thienyl)-4-oxobutyric acid (CHEBI:64441) has role hapten (CHEBI:59174) |
| 4-(5-ethyl-2-thienyl)-4-oxobutyric acid (CHEBI:64441) is a 4-oxo monocarboxylic acid (CHEBI:35950) |
| 4-(5-ethyl-2-thienyl)-4-oxobutyric acid (CHEBI:64441) is a thiophenes (CHEBI:26961) |
| IUPAC Name |
|---|
| 4-(5-ethyl-2-thienyl)-4-oxobutanoic acid |
| Synonyms | Source |
|---|---|
| 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid | ChEBI |
| 4-oxo-4-(5-ethylthien-2-yl)butyric acid | ChEBI |
| 4-oxo-4-(5-ethylthien-2-yl)butanoic acid | ChEBI |
| 3-(5-ethyl-2-thenoyl)propanoic acid | ChEBI |
| 3-(5-ethyl-2-thenoyl)propionic acid | ChEBI |
| 4-(5-ethylthiophen-2-yl)-4-oxobutyric acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:171755 | Reaxys |
| Citations |
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