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CHEBI:747728 - N-β-alanyldopamine quinone methide(1+)

Default Structure
ChEBI IDCHEBI:747728
ChEBI NameN-β-alanyldopamine quinone methide(1+)
Stars
ASCII NameN-beta-alanyldopamine quinone methide(1+)
DefinitionA primary ammonium ion that is the conjugate acid of N-β-alanyldopamine quinone methide resulting from the protonation of the primary amino group; Major microspecies at pH 7.3.
Last Modified13 May 2026
SubmitterAdnan
DownloadsMolfile
FormulaC11H15N2O3
Net Charge+1
Average Mass223.252
Monoisotopic Mass223.10772
SMILES[NH3+]CCC(=O)NC/C=C1\C=CC(=O)C(O)=C1
InChIInChI=1S/C11H14N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,4,7,15H,3,5-6,12H2,(H,13,16)/p+1/b8-4+
InChIKeyBNSSHTAAKTTXOM-XBXARRHUSA-O
ChEBI Ontology
Outgoing Relation(s)
N-β-alanyldopamine quinone methide(1+) (CHEBI:747728) is a primary ammonium ion (CHEBI:65296)
N-β-alanyldopamine quinone methide(1+) (CHEBI:747728) is conjugate acid of N-β-alanyldopamine quinone methide (CHEBI:747726)
Incoming Relation(s)
N-β-alanyldopamine quinone methide (CHEBI:747726) is conjugate base of N-β-alanyldopamine quinone methide(1+) (CHEBI:747728)
IUPAC Name 
3-{[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino}-3-oxopropan-1-aminium
Synonyms  Source
N-β-alaniniumyldopamine quinone methideChEBI
N-β-alanyldopamine quinone methide cationChEBI
NBAD quinone methide(1+)ChEBI
NBAD quinone methide cationChEBI