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CHEBI:125678 - N-acetyldopamine

Default Structure
ChEBI IDCHEBI:125678
ChEBI NameN-acetyldopamine
Stars
ASCII NameN-acetyldopamine
DefinitionA secondary carboxamide obtained by formal condensation of the carboxy group of acetic acid with the amino group of dopamine. A dopamine metabolite.
Last Modified28 August 2024
DownloadsMolfile
FormulaC10H13NO3
Net Charge0
Average Mass195.218
Monoisotopic Mass195.08954
SMILESCC(=O)NCCc1ccc(O)c(O)c1
InChIInChI=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)
InChIKeyOFSAJYZMIPNPHE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aedes aegypti (ncbitaxon:7159) - PubMed (21645618)
Apis mellifera (ncbitaxon:7460) - PubMed (22537672)
Carassius auratus (ncbitaxon:7957) liver (BTO:0000759) PubMed (23466408)
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (6513727)
Tribolium castaneum (ncbitaxon:7070) - PubMed (27816487)
Roles Classification
Biological Roles:
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 Relation(s)
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
Synonyms  Source
NADAChEBI
NSC 314644ChemIDplus
UniProt Name  Source
N-acetyldopamineUniProt
Manual XrefsDatabases
C00033243KNApSAcK
HMDB0041943HMDB
KR20070000663Patent
KR20070109261Patent
LSM-37245LINCS
Registry NumbersSources
Reaxys:2806306Reaxys
CAS:2494-12-4ChemIDplus
Citations