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CHEBI:29585 - 5-aminocyclohexa-1,3-diene-1-carboxylic acid

ChEBI IDCHEBI:29585
ChEBI Name5-aminocyclohexa-1,3-diene-1-carboxylic acid
Stars
DefinitionAn α,β-unsaturated monocarboxylic acid that is cyclohexa-1,3-diene-1-carboxylic acid carrying an amino group at position 5.
Last Modified10 October 2019
DownloadsMolfile
FormulaC7H9NO2
Net Charge0
Average Mass139.154
Monoisotopic Mass139.06333
SMILESNC1C=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)
InChIKeyKFNRJXCQEJIBER-UHFFFAOYSA-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)
5-aminocyclohexa-1,3-diene-1-carboxylic acid (CHEBI:29585) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
5-aminocyclohexa-1,3-diene-1-carboxylic acid (CHEBI:29585) is a γ-amino acid (CHEBI:33707)
Incoming Relation(s)
(R)-gabaculine (CHEBI:42790) is a 5-aminocyclohexa-1,3-diene-1-carboxylic acid (CHEBI:29585)
(S)-gabaculine (CHEBI:145084) is a 5-aminocyclohexa-1,3-diene-1-carboxylic acid (CHEBI:29585)
IUPAC Name 
5-aminocyclohexa-1,3-diene-1-carboxylic acid
Synonym  Source
5-amino-1,3-cyclohexadiene-1-carboxylic acidChEBI
Manual XrefsDatabases
C12110KEGG COMPOUND
Registry NumbersSources
CAS:87980-11-8KEGG COMPOUND