CHEBI:29704 - valiolone

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ChEBI Name valiolone
ChEBI ID CHEBI:29704
Definition A cyclitol that is cyclohexanone which is substituted by hydroxy groups at positions 2, 3, 4, and 5, and by a hydroxymethyl group at position 5 (the 2R,3S,4S,5S stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
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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-/m0/s1
InChIKey JCZFNXYQGNLHDQ-VZFHVOOUSA-N
SMILES [C@@H]1(C(C[C@]([C@H]([C@@H]1O)O)(O)CO)=O)O
ChEBI Ontology
Outgoing valiolone (CHEBI:29704) is a alicyclic ketone (CHEBI:36132)
valiolone (CHEBI:29704) is a cyclitol (CHEBI:23451)
valiolone (CHEBI:29704) is a tertiary alcohol (CHEBI:26878)
Incoming valienone (CHEBI:111521) has functional parent valiolone (CHEBI:29704)
IUPAC Name
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexanone
Manual Xref Database
C12113 KEGG COMPOUND
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Registry Number Type Source
8148046 Reaxys Registry Number Reaxys
Last Modified
14 April 2016