EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:167168 - hexacyclonic acid

ChEBI IDCHEBI:167168
ChEBI Namehexacyclonic acid
Stars
DefinitionA hydroxy monocarboxylic acid that is cyclohexane substituted by a hydroxymethyl and carboxymethyl groups at position 1.
Last Modified7 January 2021
SubmitterAdnan
DownloadsMolfile
FormulaC9H16O3
Net Charge0
Average Mass172.224
Monoisotopic Mass172.10994
SMILESO=C(O)CC1(CO)CCCCC1
InChIInChI=1S/C9H16O3/c10-7-9(6-8(11)12)4-2-1-3-5-9/h10H,1-7H2,(H,11,12)
InChIKeyWMJPAYUKEVEBCN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
hexacyclonic acid (CHEBI:167168) has parent hydride cyclohexane (CHEBI:29005)
hexacyclonic acid (CHEBI:167168) has role central nervous system stimulant (CHEBI:35337)
hexacyclonic acid (CHEBI:167168) is a hydroxy monocarboxylic acid (CHEBI:35868)
hexacyclonic acid (CHEBI:167168) is conjugate acid of hexacyclonate (CHEBI:167169)
Incoming Relation(s)
hexacyclonate (CHEBI:167169) is conjugate base of hexacyclonic acid (CHEBI:167168)
IUPAC Name 
[1-(hydroxymethyl)cyclohexyl]acetic acid
Synonyms  Source
hexacyclonic acidChemIDplus
1-(hydroxymethyl)-cyclohexaneacetic acidChemIDplus
1-(hydroxymethyl)cyclohexaneacetic acidChEBI
1-(hydroxymethyl)cyclohexane-1-acetic acidChEBI
3,3-pentamethylene-4-hydoxybutyric acidChEBI
Manual XrefsDatabases
HexacyclonateWikipedia
3459DrugCentral
21921ChemSpider
Registry NumbersSources
CAS:7491-42-1ChemIDplus
Citations