N-beta-alanyldopamine quinone methide (CHEBI:747726)

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CHEBI:747726 - N-β-alanyldopamine quinone methide

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ChEBI ID	CHEBI:747726
ChEBI Name	N-β-alanyldopamine quinone methide
Stars
ASCII Name	N-beta-alanyldopamine quinone methide
Definition	A secondary carboxamide resulting from the formal condensation of the carboxy group of β-alanine with the amino group of (4E)-4-(2-aminoethylidene)-2-hydroxycyclohexa-2,5-dien-1-one.
Last Modified	13 May 2026
Submitter	Adnan
Downloads	Molfile

Formula	C11H14N2O3
Net Charge	0
Average Mass	222.244
Monoisotopic Mass	222.10044
SMILES	NCCC(=O)NC/C=C1\C=CC(=O)C(O)=C1
InChI	InChI=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)/b8-4+
InChIKey	BNSSHTAAKTTXOM-XBXARRHUSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	N-β-alanyldopamine quinone methide (CHEBI:747726) has functional parent β-alanine (CHEBI:16958)
	N-β-alanyldopamine quinone methide (CHEBI:747726) is a enol (CHEBI:33823)
	N-β-alanyldopamine quinone methide (CHEBI:747726) is a enone (CHEBI:51689)
	N-β-alanyldopamine quinone methide (CHEBI:747726) is a primary amino compound (CHEBI:50994)
	N-β-alanyldopamine quinone methide (CHEBI:747726) is a secondary carboxamide (CHEBI:140325)
	N-β-alanyldopamine quinone methide (CHEBI:747726) is conjugate base of N-β-alanyldopamine quinone methide(1+) (CHEBI:747728)
Incoming Relation(s)
Incoming Relation(s)	N-β-alanyldopamine quinone methide(1+) (CHEBI:747728) is conjugate acid of N-β-alanyldopamine quinone methide (CHEBI:747726)

IUPAC Name
N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]-β-alaninamide

Synonyms	Source
3-amino-N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]propanamide	IUPAC
NBAD quinone methide	ChEBI

Citations