CHEBI:177271 - 1-Hydroxyibuprofen

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-Hydroxyibuprofen
ChEBI ID CHEBI:177271
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H18O3
Net Charge 0
Average Mass 222.284
Monoisotopic Mass 222.12559
InChI InChI=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)
InChIKey RMOQYHYFRKTDRI-UHFFFAOYSA-N
SMILES OC(C(C)C)C1=CC=C(C(C)C(O)=O)C=C1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain C57BL/6J [EFO:0000606]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
21686528 ChemSpider
HMDB0060565 HMDB
View more database links
Registry Number Type Source
53949-53-4 CAS Registry Number ChemIDplus