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CHEBI:137015 - 3-dehydro-scyllo-inosose

ChEBI IDCHEBI:137015
ChEBI Name3-dehydro-scyllo-inosose
Stars
ASCII Name3-dehydro-scyllo-inosose
DefinitionA β-diketone obtained by formal oxidation of the 2 and 4 hydroxy groups of scyllo-inositol to the corresponding ketones.
Last Modified18 July 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H8O6
Net Charge0
Average Mass176.124
Monoisotopic Mass176.03209
SMILESO=C1[C@H](O)C(=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H8O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-3,6-9,12H/t1-,2-,3+,6-
InChIKeyXQCGHIBXRBNZFL-PCGRLTQBSA-N
Species of MetaboliteComponentSourceComments
Thermotoga maritima (ncbitaxon:2336) - PubMed (23441918)
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-dehydro-scyllo-inosose (CHEBI:137015) has functional parent scyllo-inositol (CHEBI:10642)
3-dehydro-scyllo-inosose (CHEBI:137015) has role bacterial metabolite (CHEBI:76969)
3-dehydro-scyllo-inosose (CHEBI:137015) has role marine metabolite (CHEBI:76507)
3-dehydro-scyllo-inosose (CHEBI:137015) is a tetrahydroxycyclohexanone (CHEBI:64809)
3-dehydro-scyllo-inosose (CHEBI:137015) is a β-diketone (CHEBI:67265)
IUPAC Name 
(2s,4R,5s,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-dione
Synonyms  Source
2,4-diketo-inositolMetaCyc
2,4-didehydro-inositolMetaCyc
UniProt Name  Source
3-dehydro-scyllo-inososeUniProt
Manual XrefsDatabases
CPD-15236MetaCyc
Citations