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CHEBI:36076 - L-topaquinone

ChEBI IDCHEBI:36076
ChEBI NameL-topaquinone
Stars
ASCII NameL-topaquinone
DefinitionA topaquinone that has S configuration.
Last Modified26 March 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC9H9NO5
Net Charge0
Average Mass211.173
Monoisotopic Mass211.04807
SMILESN[C@@H](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)/t5-/m0/s1
InChIKeyAGMJSPIGDFKRRO-YFKPBYRVSA-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)
L-topaquinone (CHEBI:36076) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
L-topaquinone (CHEBI:36076) is a topaquinone (CHEBI:36077)
Incoming Relation(s)
3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine (CHEBI:39640) has functional parent L-topaquinone (CHEBI:36076)
L-topaquinone residue (CHEBI:46045) is substituent group from L-topaquinone (CHEBI:36076)
IUPAC Name 
(2S)-2-amino-3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoic acid
Synonyms  Source
topa quinoneChemIDplus
6-hydroxydopa quinoneChemIDplus
topaquinoneChemIDplus
(S)-α-amino-4-hydroxy-3,6-dioxo-1,4-cyclohexadiene-1-propanoic acidChemIDplus
Manual XrefsDatabases
DB04334DrugBank
Registry NumbersSources
CAS:64192-68-3ChemIDplus