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CHEBI:68431 - topaquinone zwitterion

ChEBI IDCHEBI:68431
ChEBI Nametopaquinone zwitterion
Stars
DefinitionAn amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of topaquinone; major structure at pH 7.3.
Last Modified26 September 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H9NO5
Net Charge0
Average Mass211.173
Monoisotopic Mass211.04807
SMILES[NH3+]C(CC1=CC(=O)C(O)=CC1=O)C(=O)[O-]
InChIInChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,13H,1,10H2,(H,14,15)
InChIKeyAGMJSPIGDFKRRO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
topaquinone zwitterion (CHEBI:68431) is a amino-acid zwitterion (CHEBI:35238)
topaquinone zwitterion (CHEBI:68431) is tautomer of topaquinone (CHEBI:36077)
Incoming Relation(s)
topaquinone (CHEBI:36077) is tautomer of topaquinone zwitterion (CHEBI:68431)
IUPAC Name 
2-azaniumyl-3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoate