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CHEBI:125358 - N-acetyloctopamine

ChEBI IDCHEBI:125358
ChEBI NameN-acetyloctopamine
Stars
ASCII NameN-acetyloctopamine
DefinitionA member of the class of tyramines that is octopamine in which one of the amino hydrogens is replaced by an acetyl group. It is a metabolite of octopamine which is found in the brains of ants and fruit flies.
Last Modified27 November 2020
DownloadsMolfile
FormulaC10H13NO3
Net Charge0
Average Mass195.218
Monoisotopic Mass195.08954
SMILESCC(=O)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-7(12)11-6-10(14)8-2-4-9(13)5-3-8/h2-5,10,13-14H,6H2,1H3,(H,11,12)
InChIKeyKAWMSLLRABYLGN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Schistocerca gregaria (ncbitaxon:7010) - PubMed (6780662)
Brugia pahangi (ncbitaxon:6280) - PubMed (2090941)
Drosophila melanogaster (ncbitaxon:7227)
- PubMed (16097779)
brain (BTO:0000142) PubMed (23387977)
Formica japonica (ncbitaxon:255794) brain (BTO:0000142) PubMed (22905265)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
N-acetyloctopamine (CHEBI:125358) has functional parent octopamine (CHEBI:17134)
N-acetyloctopamine (CHEBI:125358) has role animal metabolite (CHEBI:75767)
N-acetyloctopamine (CHEBI:125358) is a acetamides (CHEBI:22160)
N-acetyloctopamine (CHEBI:125358) is a tyramines (CHEBI:27175)
IUPAC Name 
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]acetamide
Synonym  Source
N-acetylnorsynephrineChEBI
UniProt Name  Source
N-acetyloctopamineUniProt
Manual XrefsDatabases
LSM-36832LINCS
168090ChemSpider
Registry NumbersSources
CAS:33141-15-0ChemIDplus
Citations