CHEBI:125678 - N-acetyldopamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 0
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.
View more via ChEBI Ontology
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 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 Sources
N-acetyl-dopamine UniProt
NADA ChEBI
NSC 314644 ChemIDplus
Manual Xrefs Databases
C00033243 KNApSAcK
HMDB0041943 HMDB
KR20070000663 Patent
KR20070109261 Patent
LSM-37245 LINCS
View more database links
Registry Numbers Types Sources
2494-12-4 CAS Registry Number ChemIDplus
2806306 Beilstein Registry Number ChemIDplus
2806306 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1447347 PubMed citation Europe PMC
16179544 PubMed citation Europe PMC
16179545 PubMed citation Europe PMC
20428047 PubMed citation Europe PMC
20446293 PubMed citation Europe PMC
21645618 PubMed citation Europe PMC
22537672 PubMed citation Europe PMC
22784829 PubMed citation Europe PMC
23466408 PubMed citation Europe PMC
23510859 PubMed citation Europe PMC
27816487 PubMed citation Europe PMC
28557057 PubMed citation Europe PMC
6513727 PubMed citation Europe PMC
7918576 PubMed citation Europe PMC
9266600 PubMed citation Europe PMC
IND21635639 Agricola citation Europe PMC
Last Modified
10 April 2018