CHEBI:84361 - 5-epi-valiolone

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ChEBI Name 5-epi-valiolone ChEBI ID CHEBI:84361 ChEBI ASCII Name 5-epi-valiolone Definition A member of the class of cyclitols that is valiolone in which the stererocentre at position 5 has been inverted. 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 C7H12O6 Net Charge 0 Average Mass 192.16660 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-BNHYGAARSA-N SMILES OC[C@]1(O)CC(=O)[C@H](O)[C@@H](O)[C@@H]1O Metabolite of Species Details Actinomyces sp. (NCBI:txid416175) of strain Lu 9419 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 5-epi-valiolone (CHEBI:84361) has role bacterial metabolite (CHEBI:76969) 5-epi-valiolone (CHEBI:84361) is a alicyclic ketone (CHEBI:36132) 5-epi-valiolone (CHEBI:84361) is a cyclitol (CHEBI:23451) Incoming 5-epi-valiolone 7-phosphate (CHEBI:87447) has functional parent 5-epi-valiolone (CHEBI:84361) IUPAC Name (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexanone Synonym Source 5-epi-valiolone UniProt Manual Xref Database CPD-9664 MetaCyc View more database links Registry Number Type Source 21452825 Reaxys Registry Number Reaxys Citations Types Sources 11463258 PubMed citation Europe PMC 19101977 PubMed citation SUBMITTER Last Modified 11 August 2015