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CHEBI:111521 - valienone

ChEBI IDCHEBI:111521
ChEBI Namevalienone
Stars
DefinitionA member of the class of cyclohexenones that is cyclohex-2-en-1-one substituted by hydroxy groups at positions 4, 5 and 6, and by a hydroxymethyl group at position 3 (the 4R,5S,6R-diastereomer).
Last Modified17 May 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H10O5
Net Charge0
Average Mass174.152
Monoisotopic Mass174.05282
SMILESO=C1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,5-8,10-12H,2H2/t5-,6+,7+/m1/s1
InChIKeyWQMTVIWUDHFWNR-VQVTYTSYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces lincolnensis (ncbitaxon:1915) - PubMed (19224545) Strain: DSM 40355
Streptomyces hygroscopicus subsp. limoneus (ncbitaxon:264445) - PubMed (11456959)
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
valienone (CHEBI:111521) has functional parent valiolone (CHEBI:29704)
valienone (CHEBI:111521) has role bacterial xenobiotic metabolite (CHEBI:76976)
valienone (CHEBI:111521) is a cyclohexenones (CHEBI:48953)
valienone (CHEBI:111521) is a enone (CHEBI:51689)
valienone (CHEBI:111521) is a tetrol (CHEBI:33573)
Incoming Relation(s)
valienone 7-phosphate (CHEBI:131946) has functional parent valienone (CHEBI:111521)
IUPAC Name 
(4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-one
UniProt Name  Source
valienoneUniProt
Manual XrefsDatabases
CPD-9665MetaCyc
Registry NumbersSources
Reaxys:8054648Reaxys
Citations