hexacyclonic acid (CHEBI:167168)

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ChEBI Name	hexacyclonic acid

ChEBI ID	CHEBI:167168

Definition	A hydroxy monocarboxylic acid that is cyclohexane substituted by a hydroxymethyl and carboxymethyl groups at position 1.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C9H16O3

Net Charge

Average Mass

172.224

Monoisotopic Mass

172.10994

InChI

InChI=1S/C9H16O3/c10-7-9(6-8(11)12)4-2-1-3-5-9/h10H,1-7H2,(H,11,12)

InChIKey

WMJPAYUKEVEBCN-UHFFFAOYSA-N

SMILES

OCC1(CC(O)=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):	central nervous system stimulant Any drug that enhances the activity of the central nervous system.

ChEBI Ontology
Outgoing	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	hexacyclonate (CHEBI:167169) is conjugate base of hexacyclonic acid (CHEBI:167168)

IUPAC Name

[1-(hydroxymethyl)cyclohexyl]acetic acid

Synonyms	Sources
1-(hydroxymethyl)-cyclohexaneacetic acid	ChemIDplus
1-(hydroxymethyl)cyclohexane-1-acetic acid	ChEBI
1-(hydroxymethyl)cyclohexaneacetic acid	ChEBI
3,3-pentamethylene-4-hydoxybutyric acid	ChEBI
hexacyclonic acid	ChemIDplus

Registry Number	Type	Source
7491-42-1	CAS Registry Number	ChemIDplus

Last Modified

07 January 2021