CHEBI:133199 - carboxyibuprofen

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ChEBI Name carboxyibuprofen
Definition A dicarboxylic acid that is ibuprofen in which one of the methyl groups in the isobutyl portion has been converted to the corresponding carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H16O4
Net Charge 0
Average Mass 236.264
Monoisotopic Mass 236.10486
InChI InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): drug metabolite

View more via ChEBI Ontology
ChEBI Ontology
Outgoing carboxyibuprofen (CHEBI:133199) has functional parent ibuprofen (CHEBI:5855)
carboxyibuprofen (CHEBI:133199) has role drug metabolite (CHEBI:49103)
carboxyibuprofen (CHEBI:133199) is a dicarboxylic acid (CHEBI:35692)
carboxyibuprofen (CHEBI:133199) is conjugate acid of carboxyibuprofen anion (CHEBI:133198)
carboxyibuprofen (CHEBI:133199) is conjugate acid of carboxyibuprofen(2−) (CHEBI:133200)
Incoming carboxyibuprofen anion (CHEBI:133198) is conjugate base of carboxyibuprofen (CHEBI:133199)
carboxyibuprofen(2−) (CHEBI:133200) is conjugate base of carboxyibuprofen (CHEBI:133199)
3-[4-(1-carboxyethyl)phenyl]-2-methylpropanoic acid
Synonyms Sources
2,4'-(2-Carboxypropyl)phenylpropionic acid ChemIDplus
2-(4-(2-Carboxypropyl)phenyl)propionic acid ChemIDplus
Carboxy-ibuprofen HMDB
Ibuprofen COOH ChemIDplus
Manual Xref Database
HMDB0060564 HMDB
View more database links
Registry Numbers Types Sources
15935-54-3 CAS Registry Number ChemIDplus
5951324 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21079932 PubMed citation Europe PMC
9094205 PubMed citation Europe PMC
Last Modified
09 September 2016