EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61024 - cyclobutyrol

ChEBI IDCHEBI:61024
ChEBI Namecyclobutyrol
Stars
DefinitionA hydroxy monocarboxylic acid in which the hydroxy group is geminal to a 1-carboxypropyl group on a cyclohexane ring.
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H18O3
Net Charge0
Average Mass186.251
Monoisotopic Mass186.12559
SMILESCCC(C(=O)O)C1(O)CCCCC1
InChIInChI=1S/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,11,12)
InChIKeyNIVFTEMPSCMWDE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
bile therapy drug  A drug used in the treatment of bile or liver disorders.
ChEBI Ontology
Outgoing Relation(s)
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  Source
ciclobutirolChemIDplus
cyclobutyrolChemIDplus
cyclobutyrolumChemIDplus
Synonyms  Source
(RS)-2-(1-Hydroxycyclohexyl)buttersäureChemIDplus
1-Hydroxy-α-ethylcyclohexylacetic acidChemIDplus
cyclobutyralChEBI
α-ethyl-1-hydroxycyclohexaneacetic acidChemIDplus
α-(1-hydroxycyclohexyl)butyric acidChemIDplus
1-Cyclohexanol-α-butyric acidChemIDplus
Manual XrefsDatabases
D07104KEGG DRUG
752DrugCentral
Registry NumbersSources
Reaxys:2209058Reaxys
CAS:512-16-3ChemIDplus
Citations