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CHEBI:42790 - (R)-gabaculine

ChEBI IDCHEBI:42790
ChEBI Name(R)-gabaculine
Stars
ASCII Name(R)-gabaculine
DefinitionThe (R)-enantiomer of gabaculine.
Last Modified10 October 2019
DownloadsMolfile
FormulaC7H9NO2
Net Charge0
Average Mass139.154
Monoisotopic Mass139.06333
SMILESN[C@H]1C=CC=C(C(=O)O)C1
InChIInChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1
InChIKeyKFNRJXCQEJIBER-LURJTMIESA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
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  Source
(R)-5-aminocyclohexa-1,3-diene-1-carboxylic acidChEBI
(R)-5-amino-1,3-cyclohexadiene-1-carboxylic acidChEBI
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