CHEBI:61024 - cyclobutyrol

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ChEBI Name cyclobutyrol ChEBI ID CHEBI:61024 Definition A hydroxy monocarboxylic acid in which the hydroxy group is geminal to a 1-carboxypropyl group on a cyclohexane ring. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H18O3 Net Charge 0 Average Mass 186.24810 Monoisotopic Mass 186.12559 InChI InChI=1S/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,11,12) InChIKey NIVFTEMPSCMWDE-UHFFFAOYSA-N SMILES CCC(C(O)=O)C1(O)CCCCC1 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Application(s): bile therapy drug A drug used in the treatment of bile or liver disorders. View more via ChEBI Ontology ChEBI Ontology Outgoing cyclobutyrol (CHEBI:61024) has role bile therapy drug (CHEBI:61026) cyclobutyrol (CHEBI:61024) is a hydroxy monocarboxylic acid (CHEBI:35868) IUPAC Name 2-(1-hydroxycyclohexyl)butanoic acid INNs Sources ciclobutirol ChemIDplus cyclobutyrol ChemIDplus cyclobutyrolum ChemIDplus Synonyms Sources (RS)-2-(1-Hydroxycyclohexyl)buttersäure ChemIDplus 1-Cyclohexanol-α-butyric acid ChemIDplus 1-Hydroxy-α-ethylcyclohexylacetic acid ChemIDplus α-(1-hydroxycyclohexyl)butyric acid ChemIDplus α-ethyl-1-hydroxycyclohexaneacetic acid ChemIDplus cyclobutyral ChEBI Manual Xrefs Databases 752 DrugCentral D07104 KEGG DRUG View more database links Registry Numbers Types Sources 2209058 Reaxys Registry Number Reaxys 2209058 Beilstein Registry Number ChemIDplus 512-16-3 CAS Registry Number ChemIDplus Citation Type Source 509935 PubMed citation Europe PMC Last Modified 22 February 2017