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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:42790 - (
R
)-gabaculine
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ChEBI Ontology
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ChEBI Name
(
R
)-gabaculine
ChEBI ID
CHEBI:42790
ChEBI ASCII Name
(R)-gabaculine
Definition
The (
R
)-enantiomer of gabaculine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Formula
C7H9NO2
Net Charge
0
Average Mass
139.154
Monoisotopic Mass
139.06333
InChI
InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1
InChIKey
KFNRJXCQEJIBER-LURJTMIESA-N
SMILES
C1=C(C[C@H](C=C1)N)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
R
)-gabaculine (
CHEBI:42790
)
is a
5-aminocyclohexa-1,3-diene-1-carboxylic acid (
CHEBI:29585
)
(
R
)-gabaculine (
CHEBI:42790
)
is enantiomer of
(
S
)-gabaculine (
CHEBI:145084
)
Incoming
rac
-gabaculine (
CHEBI:145090
)
has part
(
R
)-gabaculine (
CHEBI:42790
)
(
S
)-gabaculine (
CHEBI:145084
)
is enantiomer of
(
R
)-gabaculine (
CHEBI:42790
)
IUPAC Name
(5
R
)-5-aminocyclohexa-1,3-diene-1-carboxylic acid
Synonyms
Sources
(
R
)-5-amino-1,3-cyclohexadiene-1-carboxylic acid
ChEBI
(R)-5-aminocyclohexa-1,3-diene-1-carboxylic acid
ChEBI
Manual Xref
Database
GBC
PDBeChem
View more database links
Last Modified
10 October 2019