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CHEBI:157630 - (1S,2R)-cicloxilic acid

Default Structure
ChEBI IDCHEBI:157630
ChEBI Name(1S,2R)-cicloxilic acid
Stars
ASCII Name(1S,2R)-cicloxilic acid
DefinitionA 2-hydroxy-2-phenylcyclohexanecarboxylic acid that has (1S,2R)-stereoconfiguration.
Last Modified12 October 2020
SubmitterAdnan
DownloadsMolfile
FormulaC13H16O3
Net Charge0
Average Mass220.268
Monoisotopic Mass220.10994
SMILESO=C(O)[C@H]1CCCC[C@]1(O)c1ccccc1
InChIInChI=1S/C13H16O3/c14-12(15)11-8-4-5-9-13(11,16)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t11-,13+/m1/s1
InChIKeyVCZPUGSOJXZKIP-YPMHNXCESA-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)
(1S,2R)-cicloxilic acid (CHEBI:157630) is a 2-hydroxy-2-phenylcyclohexanecarboxylic acid (CHEBI:157631)
(1S,2R)-cicloxilic acid (CHEBI:157630) is enantiomer of (1R,2S)-cicloxilic acid (CHEBI:157629)
Incoming Relation(s)
cicloxilic acid (CHEBI:134906) has part (1S,2R)-cicloxilic acid (CHEBI:157630)
(1R,2S)-cicloxilic acid (CHEBI:157629) is enantiomer of (1S,2R)-cicloxilic acid (CHEBI:157630)
IUPAC Name 
(1S,2R)-2-hydroxy-2-phenylcyclohexanecarboxylic acid
Synonyms  Source
(1S,2R)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acidIUPAC
2α-hydroxy-2-phenylcyclohexane-1α-carboxylic acidChEBI