CHEBI:133196 - 2-hydroxyibuprofen(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxyibuprofen(1−)
ChEBI ID CHEBI:133196
ChEBI ASCII Name 2-hydroxyibuprofen(1-)
Definition A hydroxy monocarboxylic acid anion that is the conjugate base of 2-hydroxyibuprofen, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H17O3
Net Charge -1
Average Mass 221.273
Monoisotopic Mass 221.11832
InChI InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)/p-1
InChIKey UJHKVYPPCJBOSG-UHFFFAOYSA-M
SMILES C=1C=C(C=CC1C(C(=O)[O-])C)CC(O)(C)C
ChEBI Ontology
Outgoing 2-hydroxyibuprofen(1−) (CHEBI:133196) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
IUPAC Name
2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
Synonym Source
2-hydroxyibuprofen anion ChEBI
Last Modified
08 September 2016