CHEBI:84360 - cetoniacytone A

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ChEBI Name cetoniacytone A ChEBI ID CHEBI:84360 Definition 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H11NO5 Net Charge 0 Average Mass 213.18730 Monoisotopic Mass 213.06372 InChI InChI=1S/C9H11NO5/c1-4(12)10-5-2-6(13)9(3-11)8(15-9)7(5)14/h2,7-8,11,14H,3H2,1H3,(H,10,12)/t7-,8+,9-/m0/s1 InChIKey JYYJQJKNUQRQSW-YIZRAAEISA-N SMILES CC(=O)NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O Metabolite of Species Details Actinomyces sp. (NCBI:txid416175) of strain Lu 9419 See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing cetoniacytone A (CHEBI:84360) has role bacterial metabolite (CHEBI:76969) cetoniacytone A (CHEBI:84360) is a acetamide (CHEBI:27856) cetoniacytone A (CHEBI:84360) is a cyclohexenones (CHEBI:48953) cetoniacytone A (CHEBI:84360) is a enone (CHEBI:51689) cetoniacytone A (CHEBI:84360) is a epoxide (CHEBI:32955) cetoniacytone A (CHEBI:84360) is a oxabicycloalkane (CHEBI:46733) cetoniacytone A (CHEBI:84360) is a primary alcohol (CHEBI:15734) cetoniacytone A (CHEBI:84360) is a tertiary alcohol (CHEBI:26878) IUPAC Name N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]acetamide Manual Xrefs Databases C00015074 KNApSAcK CPD-17535 MetaCyc View more database links Registry Numbers Types Sources 496775-48-5 CAS Registry Number KNApSAcK 9200723 Reaxys Registry Number Reaxys Citations Types Sources 12243453 PubMed citation Europe PMC 19101977 PubMed citation SUBMITTER Last Modified 01 April 2015