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CHEBI:145084 - (S)-gabaculine

ChEBI IDCHEBI:145084
ChEBI Name(S)-gabaculine
Stars
ASCII Name(S)-gabaculine
DefinitionThe (S)-enantiomer of gabaculine.
Last Modified10 October 2019
SubmitterAdnan
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-/m1/s1
InChIKeyKFNRJXCQEJIBER-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces toyocaensis (ncbitaxon:55952) cell suspension culture (BTO:0000221) DOI (10.1016/S0040-4039(00)77904-4)
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).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor  An EC 2.6.1.* (transaminase) inhibitor that interferes with the action of 4-aminobutyrate—2-oxoglutarate transaminase (EC 2.6.1.19).
ChEBI Ontology
Outgoing Relation(s)
(S)-gabaculine (CHEBI:145084) has role bacterial metabolite (CHEBI:76969)
(S)-gabaculine (CHEBI:145084) has role EC 2.6.1.19 (4-aminobutyrate—2-oxoglutarate transaminase) inhibitor (CHEBI:63674)
(S)-gabaculine (CHEBI:145084) is a 5-aminocyclohexa-1,3-diene-1-carboxylic acid (CHEBI:29585)
(S)-gabaculine (CHEBI:145084) is enantiomer of (R)-gabaculine (CHEBI:42790)
Incoming Relation(s)
rac-gabaculine (CHEBI:145090) has part (S)-gabaculine (CHEBI:145084)
(R)-gabaculine (CHEBI:42790) is enantiomer of (S)-gabaculine (CHEBI:145084)
IUPAC Name 
(5S)-5-aminocyclohexa-1,3-diene-1-carboxylic acid
Synonyms  Source
(−)-gabaculineChEBI
(S)-5-amino-1,3-cyclohexadiene-1-carboxylic acidChEBI
[S,(−)]-5-amino-1,3-cyclohexadiene-1-carboxylic acidChEBI
gabaculineChEBI
(−)-5-amino-1,3-cyclohexadiene-1-carboxylic acidChemIDplus
gabaculinChemIDplus
Manual XrefsDatabases
C00000740KNApSAcK
Registry NumbersSources
Beilstein:4662689Beilstein
CAS:59556-29-5ChemIDplus
Citations