EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:747707 - N-β-alanyldopamine quinone

Default Structure
ChEBI IDCHEBI:747707
ChEBI NameN-β-alanyldopamine quinone
Stars
ASCII NameN-beta-alanyldopamine quinone
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of β-alanine with the amino group of dopaminoquinone.
Last Modified13 May 2026
SubmitterAdnan
DownloadsMolfile
FormulaC11H14N2O3
Net Charge0
Average Mass222.244
Monoisotopic Mass222.10044
SMILESNCCC(=O)NCCC1=CC(=O)C(=O)C=C1
InChIInChI=1S/C11H14N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7H,3-6,12H2,(H,13,16)
InChIKeyJHIWMWSXOPCOKH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-β-alanyldopamine quinone (CHEBI:747707) has functional parent dopaminoquinone (CHEBI:74684)
N-β-alanyldopamine quinone (CHEBI:747707) has functional parent β-alanine (CHEBI:16958)
N-β-alanyldopamine quinone (CHEBI:747707) is a 1,2-benzoquinones (CHEBI:132123)
N-β-alanyldopamine quinone (CHEBI:747707) is a primary amino compound (CHEBI:50994)
N-β-alanyldopamine quinone (CHEBI:747707) is a secondary carboxamide (CHEBI:140325)
N-β-alanyldopamine quinone (CHEBI:747707) is conjugate base of N-β-alanyldopamine quinone(1+) (CHEBI:747716)
Incoming Relation(s)
N-β-alanyldopamine quinone(1+) (CHEBI:747716) is conjugate acid of N-β-alanyldopamine quinone (CHEBI:747707)
IUPAC Name 
N-[2-(3,4-dioxocyclohexa-1,5-dien-1-yl)ethyl]-β-alaninamide
Synonyms  Source
3-amino-N-[2-(3,4-dioxocyclohexa-1,5-dien-1-yl)ethyl]propanamideIUPAC
NBAD quinoneChEBI
Registry NumbersSources
CAS:87838-85-5CompTox
Citations