EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:16237 - 4-chlorophenylacetate
| Formula | C8H6ClO2 |
| Net Charge | -1 |
| Average Mass | 169.587 |
| Monoisotopic Mass | 169.00618 |
| SMILES | O=C([O-])Cc1ccc(Cl)cc1 |
| InChI | InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1 |
| InChIKey | CDPKJZJVTHSESZ-UHFFFAOYSA-M |
| Roles Classification |
|---|
| Biological Role: | xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-chlorophenylacetate (CHEBI:16237) has functional parent acetate (CHEBI:30089) |
| 4-chlorophenylacetate (CHEBI:16237) has role xenobiotic metabolite (CHEBI:76206) |
| 4-chlorophenylacetate (CHEBI:16237) is a monocarboxylic acid anion (CHEBI:35757) |
| 4-chlorophenylacetate (CHEBI:16237) is conjugate base of 4-chlorophenylacetic acid (CHEBI:30749) |
| Incoming Relation(s) |
| 4-chlorophenylacetic acid (CHEBI:30749) is conjugate acid of 4-chlorophenylacetate (CHEBI:16237) |
| IUPAC Name |
|---|
| (4-chlorophenyl)acetate |
| UniProt Name | Source |
|---|---|
| 4-chlorophenylacetate | UniProt |