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CHEBI:132922 - ibuprofen(1−)

ChEBI IDCHEBI:132922
ChEBI Nameibuprofen(1−)
Stars
ASCII Nameibuprofen(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of ibuprofen, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified22 October 2024
SubmitterSteve
DownloadsMolfile
FormulaC13H17O2
Net Charge-1
Average Mass205.277
Monoisotopic Mass205.12340
SMILESCC(C)Cc1ccc(C(C)C(=O)[O-])cc1
InChIInChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/p-1
InChIKeyHEFNNWSXXWATRW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
ibuprofen(1−) (CHEBI:132922) is a monocarboxylic acid anion (CHEBI:35757)
ibuprofen(1−) (CHEBI:132922) is conjugate base of ibuprofen (CHEBI:5855)
Incoming Relation(s)
ibuprofen (CHEBI:5855) is conjugate acid of ibuprofen(1−) (CHEBI:132922)
IUPAC Name 
2-[4-(2-methylpropyl)phenyl]propanoate
Synonyms  Source
ibuprofenChEBI
ibuprofen anionChEBI
UniProt Name  Source
ibuprofenUniProt
Registry NumbersSources
Reaxys:4784081Reaxys