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CHEBI:177271 - 1-Hydroxyibuprofen

ChEBI IDCHEBI:177271
ChEBI Name1-Hydroxyibuprofen
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O3
Net Charge0
Average Mass222.284
Monoisotopic Mass222.12559
SMILESCC(C(=O)O)c1ccc(C(O)C(C)C)cc1
InChIInChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)
InChIKeyRMOQYHYFRKTDRI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) Article Strain: C57BL/6J [EFO:0000606]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1-Hydroxyibuprofen (CHEBI:177271) is a benzenes (CHEBI:22712)
1-Hydroxyibuprofen (CHEBI:177271) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-[4-(1-hydroxy-2-methylpropyl)phenyl]propanoic acid
Manual XrefsDatabases
21686528ChemSpider
HMDB0060565HMDB
Registry NumbersSources
CAS:53949-53-4ChemIDplus