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CHEBI:83469 - fenofibric acid

ChEBI IDCHEBI:83469
ChEBI Namefenofibric acid
Stars
DefinitionA monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate.
Last Modified22 February 2017
DownloadsMolfile
FormulaC17H15ClO4
Net Charge0
Average Mass318.756
Monoisotopic Mass318.06589
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
InChIKeyMQOBSOSZFYZQOK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
fenofibric acid (CHEBI:83469) has role drug metabolite (CHEBI:49103)
fenofibric acid (CHEBI:83469) has role marine xenobiotic metabolite (CHEBI:83399)
fenofibric acid (CHEBI:83469) is a aromatic ketone (CHEBI:76224)
fenofibric acid (CHEBI:83469) is a chlorobenzophenone (CHEBI:23135)
fenofibric acid (CHEBI:83469) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid
Synonym  Source
Procetofenic acidChemIDplus
Manual XrefsDatabases
4505DrugCentral
Registry NumbersSources
Reaxys:2058973Reaxys
CAS:42017-89-0ChemIDplus
Citations