CHEBI:137015 - 3-dehydro-scyllo-inosose

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ChEBI Name 3-dehydro-scyllo-inosose
ChEBI ID CHEBI:137015
ChEBI ASCII Name 3-dehydro-scyllo-inosose
Definition A β-diketone obtained by formal oxidation of the 2 and 4 hydroxy groups of scyllo-inositol to the corresponding ketones.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C6H8O6
Net Charge 0
Average Mass 176.124
Monoisotopic Mass 176.03209
InChI InChI=1S/C6H8O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-3,6-9,12H/t1-,2-,3+,6-
InChIKey XQCGHIBXRBNZFL-PCGRLTQBSA-N
SMILES C1([C@@H]([C@H]([C@@H](C([C@@H]1O)=O)O)O)O)=O
Metabolite of Species Details
Thermotoga maritima (NCBI:txid2336) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-diketone (CHEBI:67265)
3-dehydro-scyllo-inosose (CHEBI:137015) is a tetrahydroxycyclohexanone (CHEBI:64809)
IUPAC Name
(2s,4R,5s,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-dione
Synonyms Sources
2,4-didehydro-inositol MetaCyc
2,4-diketo-inositol MetaCyc
3-dehydro-scyllo-inosose UniProt
Manual Xref Database
CPD-15236 MetaCyc
View more database links
Citation Waiting for Citations Type Source
23441918 PubMed citation SUBMITTER
Last Modified
18 July 2017