acetophenone (CHEBI:27632)

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ChEBI Name	acetophenone

ChEBI ID	CHEBI:27632

Definition	A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.

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

Secondary ChEBI IDs	CHEBI:40490, CHEBI:2403, CHEBI:22186

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Formula

C8H8O

Net Charge

Average Mass

120.14852

Monoisotopic Mass

120.05751

InChI

InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

KWOLFJPFCHCOCG-UHFFFAOYSA-N

SMILES

CC(=O)c1ccccc1

Roles Classification
Biological Role(s):	animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	photosensitizing agent A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells.

ChEBI Ontology
Outgoing	acetophenone (CHEBI:27632) has role animal metabolite (CHEBI:75767) acetophenone (CHEBI:27632) has role photosensitizing agent (CHEBI:47868) acetophenone (CHEBI:27632) has role xenobiotic (CHEBI:35703) acetophenone (CHEBI:27632) is a acetophenones (CHEBI:22187)

Incoming	2-methoxyacetophenone (CHEBI:52400) has functional parent acetophenone (CHEBI:27632) 2-phenoxyacetophenone (CHEBI:52401) has functional parent acetophenone (CHEBI:27632) 3,4,5-trimethoxyacetophenone (CHEBI:86547) has functional parent acetophenone (CHEBI:27632) 4-acetoxy acetophenone (CHEBI:86558) has functional parent acetophenone (CHEBI:27632) 4-hydroxy-3-methylacetophenone (CHEBI:166495) has functional parent acetophenone (CHEBI:27632) N-acetyl-S-phenacyl-L-cysteine (CHEBI:59632) has functional parent acetophenone (CHEBI:27632)

IUPAC Name

1-phenylethan-1-one

Last Modified

08 July 2022