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CHEBI:84187 - 2-epi-5-epi-valiolone

ChEBI IDCHEBI:84187
ChEBI Name2-epi-5-epi-valiolone
Stars
ASCII Name2-epi-5-epi-valiolone
DefinitionA member of the class of cyclitols that is valiolone in which the stererocentres at positions 2 and 5 have been inverted.
Last Modified1 April 2015
SubmitterAnne Morgat
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-MVIOUDGNSA-N
Species of MetaboliteComponentSourceComments
Anabaena variabilis (ncbitaxon:240292) - PubMed (23857509) Strain: ATCC 29413
Actinoplanes sp. SE50/110 (ncbitaxon:134676) - PubMed (12681481)
Streptomyces albus (ncbitaxon:1888) - PubMed (18648803) Strain: ATCC 21838
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-epi-5-epi-valiolone (CHEBI:84187) has role bacterial metabolite (CHEBI:76969)
2-epi-5-epi-valiolone (CHEBI:84187) is a alicyclic ketone (CHEBI:36132)
2-epi-5-epi-valiolone (CHEBI:84187) is a cyclitol (CHEBI:23451)
Incoming Relation(s)
2-epi-5-epi-valiolone 7-phosphate (CHEBI:85367) has functional parent 2-epi-5-epi-valiolone (CHEBI:84187)
IUPAC Name 
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexanone
UniProt Name  Source
2-epi-5-epi-valioloneUniProt
Manual XrefsDatabases
CPD-9663MetaCyc
Registry NumbersSources
Reaxys:21452824Reaxys
Citations