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CHEBI:84361 - 5-epi-valiolone

ChEBI IDCHEBI:84361
ChEBI Name5-epi-valiolone
Stars
ASCII Name5-epi-valiolone
DefinitionA member of the class of cyclitols that is valiolone in which the stererocentre at position 5 has been inverted.
Last Modified11 August 2015
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+/m0/s1
InChIKeyJCZFNXYQGNLHDQ-BNHYGAARSA-N
Species of MetaboliteComponentSourceComments
Actinomyces sp. (ncbitaxon:416175) - PubMed (19101977) Strain: Lu 9419
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
5-epi-valiolone (CHEBI:84361) has role bacterial metabolite (CHEBI:76969)
5-epi-valiolone (CHEBI:84361) is a alicyclic ketone (CHEBI:36132)
5-epi-valiolone (CHEBI:84361) is a cyclitol (CHEBI:23451)
Incoming Relation(s)
5-epi-valiolone 7-phosphate (CHEBI:87447) has functional parent 5-epi-valiolone (CHEBI:84361)
IUPAC Name 
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexanone
UniProt Name  Source
5-epi-valioloneUniProt
Manual XrefsDatabases
CPD-9664MetaCyc
Registry NumbersSources
Reaxys:21452825Reaxys
Citations