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CHEBI:74684 - dopaminoquinone

ChEBI IDCHEBI:74684
ChEBI Namedopaminoquinone
Stars
DefinitionA member of the class of 1,2-benzoquinones that is 1,2-benzoquinone in which a hydrogen at para to one of the oxo groups has been replaced by a 2-aminoethyl group.
Last Modified25 February 2021
Submittermwilliams
DownloadsMolfile
FormulaC8H9NO2
Net Charge0
Average Mass151.165
Monoisotopic Mass151.06333
SMILESNCCC1=CC(=O)C(=O)C=C1
InChIInChI=1S/C8H9NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5H,3-4,9H2
InChIKeyPQPXZWUZIOASKS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
dopaminoquinone (CHEBI:74684) has functional parent 1,2-benzoquinone (CHEBI:17253)
dopaminoquinone (CHEBI:74684) has role metabolite (CHEBI:25212)
dopaminoquinone (CHEBI:74684) is a 1,2-benzoquinones (CHEBI:132123)
dopaminoquinone (CHEBI:74684) is a primary amino compound (CHEBI:50994)
dopaminoquinone (CHEBI:74684) is conjugate base of dopamine quinone(1+) (CHEBI:167191)
Incoming Relation(s)
dopamine quinone(1+) (CHEBI:167191) is conjugate acid of dopaminoquinone (CHEBI:74684)
IUPAC Name 
4-(2-aminoethyl)cyclohexa-3,5-diene-1,2-dione
Synonyms  Source
4-(2-Aminoethyl)-1,2-benzoquinoneHMDB
4-(2-Aminoethyl)-O-benzoquinoneHMDB
Dopamine O-quinoneHMDB
Dopamine quinoneHMDB
DoQHMDB
Manual XrefsDatabases
142759ChemSpider
C17755KEGG COMPOUND
FDB028863FooDB
HMDB0012219HMDB
Registry NumbersSources
Reaxys:2208690Reaxys
CAS:50673-96-6ChemIDplus
CAS:50673-96-6KEGG COMPOUND
Citations