CHEBI:42790 - (R)-gabaculine

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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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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 (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted 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
(5R)-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
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Last Modified
10 October 2019