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CHEBI:17861 - 4-chlorobenzoate
| Formula | C7H4ClO2 |
| Net Charge | -1 |
| Average Mass | 155.560 |
| Monoisotopic Mass | 154.99053 |
| SMILES | O=C([O-])c1ccc(Cl)cc1 |
| InChI | InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/p-1 |
| InChIKey | XRHGYUZYPHTUJZ-UHFFFAOYSA-M |
| Roles Classification |
|---|
| Biological Role: | bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-chlorobenzoate (CHEBI:17861) has functional parent benzoate (CHEBI:16150) |
| 4-chlorobenzoate (CHEBI:17861) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 4-chlorobenzoate (CHEBI:17861) is a chlorobenzoate (CHEBI:23133) |
| 4-chlorobenzoate (CHEBI:17861) is conjugate base of 4-chlorobenzoic acid (CHEBI:30747) |
| Incoming Relation(s) |
| 4-chlorobenzoyl-AMP(1−) (CHEBI:188482) has functional parent 4-chlorobenzoate (CHEBI:17861) |
| 4-chlorobenzoic acid (CHEBI:30747) is conjugate acid of 4-chlorobenzoate (CHEBI:17861) |
| IUPAC Name |
|---|
| 4-chlorobenzoate |
| Synonyms | Source |
|---|---|
| p-chlorobenzoate | ChEBI |
| pCl-benzoate anion | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| 4-chlorobenzoate | UniProt |