EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:134801 - cicrotoic acid

ChEBI IDCHEBI:134801
ChEBI Namecicrotoic acid
Stars
Last Modified24 January 2023
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESCC(=CC(=O)O)C1CCCCC1
InChIInChI=1S/C10H16O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyWVRIPRILKKOIQL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
cicrotoic acid (CHEBI:134801) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
Synonyms  Source
accroibileDrugCentral
beta-cyclohexylcrotonic acidDrugCentral
cyclohexaneacrylic acidDrugCentral
Manual XrefsDatabases
3710DrugCentral
Registry NumbersSources
CAS:25229-42-9DrugCentral