CHEBI:27632 - acetophenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name acetophenone
Definition A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.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 0
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
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.
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.
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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)
N-acetyl-S-phenacyl-L-cysteine (CHEBI:59632) has functional parent acetophenone (CHEBI:27632)
Synonyms Sources
1-phenylethanone ChEBI
1-Phenylethanone KEGG COMPOUND
Acetophenone KEGG COMPOUND
acetophenone UniProt
Acetylbenzene KEGG COMPOUND
benzoyl methide ChemIDplus
Methyl phenyl ketone KEGG COMPOUND
Phenyl methyl ketone KEGG COMPOUND
Manual Xrefs Databases
Acetophenone Wikipedia
C00002685 KNApSAcK
c0117 UM-BBD
DB04619 DrugBank
HMDB0033910 HMDB
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Registry Numbers Types Sources
98-86-2 CAS Registry Number KEGG COMPOUND
98-86-2 CAS Registry Number NIST Chemistry WebBook
98-86-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10397882 PubMed citation Europe PMC
24634568 PubMed citation Europe PMC
Last Modified
22 May 2019