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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H12O5 Net Charge 0 Average Mass 176.167 Monoisotopic Mass 176.06847 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 Types Sources 11456959 PubMed citation Europe PMC 11893070 PubMed citation Europe PMC 17335096 PubMed citation SUBMITTER Last Modified 18 May 2016