valienone (CHEBI:111521)

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ChEBI Name	valienone

ChEBI ID	CHEBI:111521

Definition	A member of the class of cyclohexenones that is cyclohex-2-en-1-one substituted by hydroxy groups at positions 4, 5 and 6, and by a hydroxymethyl group at position 3 (the 4R,5S,6R-diastereomer).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

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Formula

C7H10O5

Net Charge

Average Mass

174.152

Monoisotopic Mass

174.05282

InChI

InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,5-8,10-12H,2H2/t5-,6+,7+/m1/s1

InChIKey

WQMTVIWUDHFWNR-VQVTYTSYSA-N

SMILES

[C@H]1(C(=CC([C@@H]([C@H]1O)O)=O)CO)O

Metabolite of Species	Details
Streptomyces lincolnensis (NCBI:txid1915)	of strain DSM 40355 See: PubMed
Streptomyces hygroscopicus subsp. limoneus (NCBI:txid264445)	See: PubMed

Roles Classification
Biological Role(s):	bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.

ChEBI Ontology
Outgoing	valienone (CHEBI:111521) has functional parent valiolone (CHEBI:29704) valienone (CHEBI:111521) has role bacterial xenobiotic metabolite (CHEBI:76976) valienone (CHEBI:111521) is a cyclohexenones (CHEBI:48953) valienone (CHEBI:111521) is a enone (CHEBI:51689) valienone (CHEBI:111521) is a tetrol (CHEBI:33573)

Incoming	valienone 7-phosphate (CHEBI:131946) has functional parent valienone (CHEBI:111521)

IUPAC Name

(4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-one

Synonym	Source
valienone	UniProt

Registry Number	Type	Source
8054648	Reaxys Registry Number	Reaxys

Last Modified

17 May 2016