N-acetyloctopamine (CHEBI:125358)

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ChEBI Name	N-acetyloctopamine

ChEBI ID	CHEBI:125358

ChEBI ASCII Name	N-acetyloctopamine

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C10H13NO3

Net Charge

Average Mass

195.218

Monoisotopic Mass

195.08954

InChI

InChI=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)

InChIKey

KAWMSLLRABYLGN-UHFFFAOYSA-N

SMILES

CC(=O)NCC(O)C1=CC=C(O)C=C1

Metabolite of Species	Details
Formica japonica (NCBI:txid255794)	Found in brain (BTO:0000142). See: PubMed
Brugia pahangi (NCBI:txid6280)	See: PubMed
Schistocerca gregaria (NCBI:txid7010)	See: PubMed
Drosophila melanogaster (NCBI:txid7227)	See: PubMed
Drosophila melanogaster (NCBI:txid7227)	Found in brain (BTO:0000142). See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
33141-15-0	CAS Registry Number	ChemIDplus

Last Modified

27 November 2020