EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:747730 - 1,2-dehydro-N‐β‐alanyldopamine(1+)

Default Structure
ChEBI IDCHEBI:747730
ChEBI Name1,2-dehydro-N‐β‐alanyldopamine(1+)
Stars
ASCII Name1,2-dehydro-N‐beta‐alanyldopamine(1+)
DefinitionA primary ammonium ion that is the conjugate acid of 1,2-dehydro-N‐β‐alanyldopamine 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)N/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C11H14N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,4,6-7,14-15H,3,5,12H2,(H,13,16)/p+1/b6-4+
InChIKeyCQXKYWLWCMCZHC-GQCTYLIASA-O
ChEBI Ontology
Outgoing Relation(s)
1,2-dehydro-N‐β‐alanyldopamine(1+) (CHEBI:747730) is a primary ammonium ion (CHEBI:65296)
1,2-dehydro-N‐β‐alanyldopamine(1+) (CHEBI:747730) is conjugate acid of 1,2-dehydro-N‐β‐alanyldopamine (CHEBI:747729)
Incoming Relation(s)
1,2-dehydro-N‐β‐alanyldopamine (CHEBI:747729) is conjugate base of 1,2-dehydro-N‐β‐alanyldopamine(1+) (CHEBI:747730)
IUPAC Name 
3-{[(E)-2-(3,4-dihydroxyphenyl)ethenyl]amino}-3-oxopropan-1-aminium
Synonyms  Source
1,2-dehydro-N‐β‐alaniniumyldopamineChEBI
1,2-dehydro-N‐β‐alanyldopamine cationChEBI
1,2-dehydro-NBAD(1+)ChEBI
dehydro NBAD(1+)ChEBI
dehydro-NBAD(1+)ChEBI