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ChEBI
> Main
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
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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
(2
s
,4
R
,5
s
,6
S
)-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
Type
Source
23441918
PubMed citation
SUBMITTER
Last Modified
18 July 2017