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CHEBI:84360 - cetoniacytone A

ChEBI IDCHEBI:84360
ChEBI Namecetoniacytone A
Stars
DefinitionA 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.
Last Modified1 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H11NO5
Net Charge0
Average Mass213.189
Monoisotopic Mass213.06372
SMILESCC(=O)NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O
InChIInChI=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
InChIKeyJYYJQJKNUQRQSW-YIZRAAEISA-N
Species of MetaboliteComponentSourceComments
Actinomyces sp. (ncbitaxon:416175) - PubMed (19101977) Strain: Lu 9419
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
CPD-17535MetaCyc
C00015074KNApSAcK
Registry NumbersSources
Reaxys:9200723Reaxys
CAS:496775-48-5KNApSAcK
Citations