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CHEBI:60854 - 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid

Default Structure
ChEBI IDCHEBI:60854
ChEBI Name6-amino-5-oxocyclohex-2-ene-1-carboxylic acid
Stars
DefinitionA cyclic ketone consisting of cyclohex-3-en-1-one substituted at position 5 by a carboxy group and position 6 by an amino group.
Last Modified24 December 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H9NO3
Net Charge0
Average Mass155.153
Monoisotopic Mass155.05824
SMILESNC1C(=O)CC=CC1C(=O)O
InChIInChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-2,4,6H,3,8H2,(H,10,11)
InChIKeyAQGCSVBPRRQXIN-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)
6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60854) is a cyclic ketone (CHEBI:3992)
6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60854) is a β-amino acid (CHEBI:33706)
6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60854) is tautomer of 6-ammonio-5-oxocyclohex-2-ene-1-carboxylate (CHEBI:60860)
Incoming Relation(s)
(1R,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60855) is a 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60854)
(1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60857) is a 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60854)
(1S,6R)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60858) is a 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60854)
(1S,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60856) is a 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60854)
6-ammonio-5-oxocyclohex-2-ene-1-carboxylate (CHEBI:60860) is tautomer of 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:60854)
IUPAC Name 
6-amino-5-oxocyclohex-2-ene-1-carboxylic acid