CHEBI:111542 - validone

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ChEBI Name validone
ChEBI ID CHEBI:111542
Definition A member of the class of hydroxycyclohexanones that is cyclohexanone substituted by hydroxy groups at positions 2, 3 and 4, and by a hydroxymethyl group at position 5 (the 2R,3S,4R,5R-diastereomer).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C7H12O5
Net Charge 0
Average Mass 176.167
Monoisotopic Mass 176.068
InChI InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h3,5-8,10-12H,1-2H2/t3-,5-,6+,7+/m1/s1
InChIKey ACVTTWBZLGNMCH-UMWONPOSSA-N
SMILES [C@H]1([C@H](CC([C@@H]([C@H]1O)O)=O)CO)O
Metabolite of Species Details
Streptomyces hygroscopicus subsp. limoneus (NCBI:txid264445) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing validone (CHEBI:111542) has role bacterial metabolite (CHEBI:76969)
validone (CHEBI:111542) is a cyclitol (CHEBI:23451)
validone (CHEBI:111542) is a hydroxycyclohexanone (CHEBI:24693)
validone (CHEBI:111542) is a tetrol (CHEBI:33573)
Incoming validone 7-phosphate (CHEBI:131949) has functional parent validone (CHEBI:111542)
IUPAC Name
(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one
Synonym Source
validone UniProt
Manual Xref Database
CPD-9666 MetaCyc
View more database links
Registry Number Type Source
8838867 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11456959 PubMed citation Europe PMC
11893070 PubMed citation Europe PMC
17335096 PubMed citation SUBMITTER
Last Modified
18 May 2016