CHEBI:68431 - topaquinone zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name topaquinone zwitterion
ChEBI ID CHEBI:68431
Definition An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of topaquinone; major structure at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C9H9NO5
Net Charge 0
Average Mass 211.17150
Monoisotopic Mass 211.048
InChI InChI=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)
InChIKey AGMJSPIGDFKRRO-UHFFFAOYSA-N
SMILES [NH3+]C(CC1=CC(=O)C(O)=CC1=O)C([O-])=O
ChEBI Ontology
Outgoing topaquinone zwitterion (CHEBI:68431) is a amino acid zwitterion (CHEBI:35238)
topaquinone zwitterion (CHEBI:68431) is tautomer of topaquinone (CHEBI:36077)
Incoming 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
Synonym Source
topaquinone UniProt
Last Modified
24 September 2012