CAS 496775-48-5 is the registry number for Cetoniacytone A. Offered by: MedChemExpress. Available pack sizes: Get quote.
Cetoniacytone A is a member of the class of cyclohexenones that is (1R,5S,6R)-4-amino-5-hydroxy-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one in which one of the amino hydrogens is replaced by an acetyl group. It has a role as a bacterial metabolite. It is a primary alcohol, a tertiary alcohol, an acetamide, an epoxide, an oxabicycloalkane, a member of cyclohexenones and an enone.
Source: ChEBI
| Molecular formula | C9H11NO5 |
|---|---|
| Molecular weight | 213.19 g/mol |
| IUPAC name | N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]acetamide |
| InChIKey | JYYJQJKNUQRQSW-YIZRAAEISA-N |
| SMILES | CC(=O)NC1=CC(=O)[C@]2([C@@H]([C@H]1O)O2)CO |
Computed by PubChem (NCBI)