Cetoniacytone A

cas: 496775-48-5 — see every product listed under this CAS number, including other names

Cetoniacytone A (CAS 496775-48-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N14892-Get quote
cas496775-48-5
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Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC9H11NO5
Molecular weight213.19 g/mol
IUPAC nameN-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]acetamide
InChIKeyJYYJQJKNUQRQSW-YIZRAAEISA-N
SMILESCC(=O)NC1=CC(=O)[C@]2([C@@H]([C@H]1O)O2)CO

Computed by PubChem (NCBI)

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