EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:27632 - acetophenone
| Formula | C8H8O |
| Net Charge | 0 |
| Average Mass | 120.151 |
| Monoisotopic Mass | 120.05751 |
| SMILES | CC(=O)c1ccccc1 |
| InChI | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | 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: | 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 Relation(s) |
| 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 Relation(s) |
| N-acetyl-S-phenacyl-L-cysteine (CHEBI:59632) has functional parent acetophenone (CHEBI:27632) |
| 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) |
| IUPAC Name |
|---|
| 1-phenylethan-1-one |
| Synonyms | Source |
|---|---|
| Acetophenone | KEGG COMPOUND |
| 1-Phenylethanone | KEGG COMPOUND |
| Phenyl methyl ketone | KEGG COMPOUND |
| Acetylbenzene | KEGG COMPOUND |
| Methyl phenyl ketone | KEGG COMPOUND |
| 1-phenylethanone | ChEBI |
| UniProt Name | Source |
|---|---|
| acetophenone | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C07113 | KEGG COMPOUND |
| C07113 | KEGG COMPOUND |
| c0117 | UM-BBD |
| DB04619 | DrugBank |
| HMDB0033910 | HMDB |
| Acetophenone | Wikipedia |
| C00002685 | KNApSAcK |
| Citations |
|---|