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CHEBI:36077 - topaquinone

ChEBI IDCHEBI:36077
ChEBI Nametopaquinone
Stars
DefinitionA non-proteinogenic α-amino acid that is alanine substituted at position 3 by a 2-hydroxy-1,4-benzoquinon-5-yl group.
Last Modified2 June 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC9H9NO5
Net Charge0
Average Mass211.173
Monoisotopic Mass211.04807
SMILESNC(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
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)
topaquinone (CHEBI:36077) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)
topaquinone (CHEBI:36077) is a non-proteinogenic α-amino acid (CHEBI:83925)
topaquinone (CHEBI:36077) is tautomer of topaquinone zwitterion (CHEBI:68431)
Incoming Relation(s)
L-topaquinone (CHEBI:36076) is a topaquinone (CHEBI:36077)
topaquinone zwitterion (CHEBI:68431) is tautomer of topaquinone (CHEBI:36077)
IUPAC Name 
2-amino-3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoic acid
Synonym  Source
2,4,5-trihydroxyphenylalanine quinoneChEBI
Registry NumbersSources
Reaxys:2850806Reaxys