CHEBI:16237 - 4-chlorophenylacetate

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ChEBI Name 4-chlorophenylacetate ChEBI ID CHEBI:16237 Definition A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 4-chlorophenylacetic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11976, CHEBI:20342, CHEBI:11975 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H6ClO2 Net Charge -1 Average Mass 169.58474 Monoisotopic Mass 169.00618 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 SMILES [O-]C(=O)Cc1ccc(Cl)cc1 Roles Classification Biological Role(s): xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 4-chlorophenylacetic acid (CHEBI:30749) is conjugate acid of 4-chlorophenylacetate (CHEBI:16237) IUPAC Name (4-chlorophenyl)acetate Synonym Source 4-chlorophenylacetate UniProt Manual Xrefs Databases C03077 KEGG COMPOUND c0385 UM-BBD CPD-1786 MetaCyc View more database links Registry Numbers Types Sources 3665314 Beilstein Registry Number Beilstein 3665314 Reaxys Registry Number Reaxys Last Modified 07 September 2015