EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:4077 - (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one

ChEBI IDCHEBI:4077
ChEBI Name(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one
Stars
ASCII Name(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one
DefinitionA member of the class of cyclohexenones that is cyclohex-2-en-1-one substituted by hydroxy groups at positions 2, 4, 5 and 6 (the 4R,5S,6R-stereoisomer).
Last Modified13 February 2015
DownloadsMolfile
FormulaC6H8O5
Net Charge0
Average Mass160.125
Monoisotopic Mass160.03717
SMILESO=C1C(O)=C[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4,6-9,11H/t2-,4+,6-/m1/s1
InChIKeyYHPMNQOQULEBNK-CJPQEGFPSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077) has functional parent cyclohex-2-enone (CHEBI:15977)
(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077) is a cyclohexenones (CHEBI:48953)
(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077) is a enol (CHEBI:33823)
(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077) is a enone (CHEBI:51689)
(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077) is conjugate acid of (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate (CHEBI:58691)
(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077) is tautomer of 3D-3,5/4-trihydroxycyclohexane-1,2-dione (CHEBI:28446)
Incoming Relation(s)
(3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate (CHEBI:58691) is conjugate base of (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077)
3D-3,5/4-trihydroxycyclohexane-1,2-dione (CHEBI:28446) is tautomer of (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (CHEBI:4077)
IUPAC Name 
(4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one
Synonyms  Source
D-2,3-Diketo 4-deoxy-epi-inositolKEGG COMPOUND
DKDIKEGG COMPOUND
UniProt Name  Source
D-2,3-diketo-4-deoxy-epi-inositolUniProt
Manual XrefsDatabases
C06891KEGG COMPOUND
Registry NumbersSources
Reaxys:4987708Reaxys