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CHEBI:86399 - (4R,6R)-hydroxy-2,2,6-trimethylcyclohexanone

ChEBI IDCHEBI:86399
ChEBI Name(4R,6R)-hydroxy-2,2,6-trimethylcyclohexanone
Stars
ASCII Name(4R,6R)-hydroxy-2,2,6-trimethylcyclohexanone
DefinitionA member of the class of hydroxycyclohexanones that is 4-hydroxycyclohexanone carrying a gem-dimethyl group at position 2 and an additional methyl substituent at position 6 (the 4R,6R-diastereomer).
Last Modified20 July 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H16O2
Net Charge0
Average Mass156.225
Monoisotopic Mass156.11503
SMILESC[C@@H]1C[C@@H](O)CC(C)(C)C1=O
InChIInChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyCSPVUHYZUZZRGF-RNFRBKRXSA-N
Species of MetaboliteComponentSourceComments
Corynebacterium aquaticum (ncbitaxon:144185) - PubMed (12621044)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(4R,6R)-hydroxy-2,2,6-trimethylcyclohexanone (CHEBI:86399) has role bacterial metabolite (CHEBI:76969)
(4R,6R)-hydroxy-2,2,6-trimethylcyclohexanone (CHEBI:86399) is a hydroxycyclohexanone (CHEBI:24693)
IUPAC Name 
(4R,6R)-hydroxy-2,2,6-trimethylcyclohexanone
Synonym  Source
(4R,6R)-actinolChEBI
UniProt Name  Source
(4R)-hydroxy-(6R)-2,2,6-trimethylcyclohexanoneUniProt
Registry NumbersSources
Reaxys:2554040Reaxys
Citations