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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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.
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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
(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexanone
Synonym Source
2-epi-valiolone UniProt
Manual Xref Database
CPD-18780 MetaCyc
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Registry Number Type Source
22886667 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22741921 PubMed citation SUBMITTER
Last Modified
14 April 2016