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CHEBI:131717 - 2-epi-valiolone

Default Structure
ChEBI IDCHEBI:131717
ChEBI Name2-epi-valiolone
Stars
ASCII Name2-epi-valiolone
DefinitionA cyclitol that is valiolone in which the the stereochemistry at position 2 has been inverted (from R to S).
Last Modified14 April 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H12O6
Net Charge0
Average Mass192.167
Monoisotopic Mass192.06339
SMILESO=C1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=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
InChIKeyJCZFNXYQGNLHDQ-JWXFUTCRSA-N
Species of MetaboliteComponentSourceComments
Actinosynnema mirum (ncbitaxon:40567) - PubMed (22741921)
Stigmatella aurantiaca DW4/3-1 (ncbitaxon:378806) - PubMed (22741921) Strain: DW4/3-1
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 
(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexanone
UniProt Name  Source
2-epi-valioloneUniProt
Manual XrefsDatabases
CPD-18780MetaCyc
Registry NumbersSources
Reaxys:22886667Reaxys
Citations