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CHEBI:37276 - (1-hydroxycyclohexyl)acetic acid

ChEBI IDCHEBI:37276
ChEBI Name(1-hydroxycyclohexyl)acetic acid
Stars
DefinitionA 3-hydroxy monocarboxylic acid consisting of cyclohexane carrying carboxymethyl and hydroxy substituents both at the 1-position.
Last Modified14 March 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESO=C(O)CC1(O)CCCCC1
InChIInChI=1S/C8H14O3/c9-7(10)6-8(11)4-2-1-3-5-8/h11H,1-6H2,(H,9,10)
InChIKeyAADJJWDBCQRALD-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)
(1-hydroxycyclohexyl)acetic acid (CHEBI:37276) has functional parent acetic acid (CHEBI:15366)
(1-hydroxycyclohexyl)acetic acid (CHEBI:37276) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
Incoming Relation(s)
(1-hydroxycyclohexyl)acetyl-CoA (CHEBI:15448) has functional parent (1-hydroxycyclohexyl)acetic acid (CHEBI:37276)
Synonym  Source
1-hydroxycyclohexaneacetic acidChEBI
Registry NumbersSources
Reaxys:2207501Reaxys