N-acetyldopamine (CHEBI:125678)

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ChEBI Name	N-acetyldopamine

ChEBI ID	CHEBI:125678

ChEBI ASCII Name	N-acetyldopamine

Definition	A secondary carboxamide obtained by formal condensation of the carboxy group of acetic acid with the amino group of dopamine. A dopamine metabolite.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C10H13NO3

Net Charge

Average Mass

195.216

Monoisotopic Mass

195.08954

InChI

InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)

InChIKey

OFSAJYZMIPNPHE-UHFFFAOYSA-N

SMILES

CC(=O)NCCC1=CC(=C(C=C1)O)O

Metabolite of Species	Details
Tribolium castaneum (NCBI:txid7070)	See: PubMed
Aedes aegypti (NCBI:txid7159)	See: PubMed
Apis mellifera (NCBI:txid7460)	See: PubMed
Carassius auratus (NCBI:txid7957)	Found in liver (BTO:0000759). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed

Roles Classification
Biological Role(s):	human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	N-acetyldopamine (CHEBI:125678) has functional parent dopamine (CHEBI:18243) N-acetyldopamine (CHEBI:125678) has role human urinary metabolite (CHEBI:84087) N-acetyldopamine (CHEBI:125678) has role marine metabolite (CHEBI:76507) N-acetyldopamine (CHEBI:125678) is a N-(fatty acyl)-dopamine (CHEBI:157740) N-acetyldopamine (CHEBI:125678) is a acetamides (CHEBI:22160) N-acetyldopamine (CHEBI:125678) is a catechols (CHEBI:33566) N-acetyldopamine (CHEBI:125678) is a secondary carboxamide (CHEBI:140325)

IUPAC Name

N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide

Last Modified

10 April 2018