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ChEBI
> Main
CHEBI:157630 - (1
S
,2
R
)-cicloxilic acid
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ChEBI Name
(1
S
,2
R
)-cicloxilic acid
ChEBI ID
CHEBI:157630
ChEBI ASCII Name
(1S,2R)-cicloxilic acid
Definition
A 2-hydroxy-2-phenylcyclohexanecarboxylic acid that has (1
S
,2
R
)-stereoconfiguration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H16O3
Net Charge
0
Average Mass
220.268
Monoisotopic Mass
220.10994
InChI
InChI=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
InChIKey
VCZPUGSOJXZKIP-YPMHNXCESA-N
SMILES
OC(=O)[C@H]1CCCC[C@]1(O)C1=CC=CC=C1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(1
S
,2
R
)-cicloxilic acid (
CHEBI:157630
)
is a
2-hydroxy-2-phenylcyclohexanecarboxylic acid (
CHEBI:157631
)
(1
S
,2
R
)-cicloxilic acid (
CHEBI:157630
)
is enantiomer of
(1
R
,2
S
)-cicloxilic acid (
CHEBI:157629
)
Incoming
cicloxilic acid (
CHEBI:134906
)
has part
(1
S
,2
R
)-cicloxilic acid (
CHEBI:157630
)
(1
R
,2
S
)-cicloxilic acid (
CHEBI:157629
)
is enantiomer of
(1
S
,2
R
)-cicloxilic acid (
CHEBI:157630
)
IUPAC Name
(1
S
,2
R
)-2-hydroxy-2-phenylcyclohexanecarboxylic acid
Synonyms
Sources
(1
S
,2
R
)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
IUPAC
2α-hydroxy-2-phenylcyclohexane-1α-carboxylic acid
ChEBI
Last Modified
12 October 2020