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CHEBI:45807 - 2-thienylacetic acid
| Formula | C6H6O2S |
| Net Charge | 0 |
| Average Mass | 142.179 |
| Monoisotopic Mass | 142.00885 |
| SMILES | O=C(O)Cc1cccs1 |
| InChI | InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8) |
| InChIKey | SMJRBWINMFUUDS-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-thienylacetic acid (CHEBI:45807) has functional parent acetic acid (CHEBI:15366) |
| 2-thienylacetic acid (CHEBI:45807) has role allergen (CHEBI:50904) |
| 2-thienylacetic acid (CHEBI:45807) is a monocarboxylic acid (CHEBI:25384) |
| 2-thienylacetic acid (CHEBI:45807) is a thiophenes (CHEBI:26961) |
| 2-thienylacetic acid (CHEBI:45807) is conjugate acid of thien-2-ylacetate (CHEBI:32403) |
| Incoming Relation(s) |
| methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate (CHEBI:90543) has functional parent 2-thienylacetic acid (CHEBI:45807) |
| thien-2-ylacetate (CHEBI:32403) is conjugate base of 2-thienylacetic acid (CHEBI:45807) |
| IUPAC Name |
|---|
| 2-(thiophen-2-yl)acetic acid |
| Synonyms | Source |
|---|---|
| 2-Thiopheneacetic acid | KEGG COMPOUND |
| 2-Thienylacetic acid | KEGG COMPOUND |
| thiophene-2-acetic acid | NIST Chemistry WebBook |
| THIOPHENEACETIC ACID | PDBeChem |
| 2-thiopheneacetic acid | ChEBI |
| Citations |
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