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ChEBI
> Main
CHEBI:131717 - 2-
epi
-valiolone
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ChEBI Name
2-
epi
-valiolone
ChEBI ID
CHEBI:131717
ChEBI ASCII Name
2-epi-valiolone
Definition
A cyclitol that is valiolone in which the the stereochemistry at position 2 has been inverted (from
R
to
S
).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Molfile
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Molfile
Formula
C7H12O6
Net Charge
0
Average Mass
192.167
Monoisotopic Mass
192.06339
InChI
InChI=1S/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5-,6+,7+/m1/s1
InChIKey
JCZFNXYQGNLHDQ-JWXFUTCRSA-N
SMILES
[C@H]1(C(C[C@]([C@H]([C@@H]1O)O)(O)CO)=O)O
Metabolite of Species
Details
Stigmatella aurantiaca DW4/3-1
(NCBI:txid378806)
of strain DW4/3-1 See:
PubMed
Actinosynnema mirum
(NCBI:txid40567)
See:
PubMed
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-
epi
-valiolone (
CHEBI:131717
)
has role
bacterial metabolite (
CHEBI:76969
)
2-
epi
-valiolone (
CHEBI:131717
)
is a
alicyclic ketone (
CHEBI:36132
)
2-
epi
-valiolone (
CHEBI:131717
)
is a
cyclitol (
CHEBI:23451
)
2-
epi
-valiolone (
CHEBI:131717
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(2
S
,3
S
,4
S
,5
S
)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexanone
Synonym
Source
2-
epi
-valiolone
UniProt
Manual Xref
Database
CPD-18780
MetaCyc
View more database links
Registry Number
Type
Source
22886667
Reaxys Registry Number
Reaxys
Citation
Type
Source
22741921
PubMed citation
SUBMITTER
Last Modified
14 April 2016