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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one
ChEBI ID CHEBI:4077
ChEBI ASCII Name (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H8O5
Net Charge 0
Average Mass 160.12472
Monoisotopic Mass 160.03717
InChI InChI=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
InChIKey YHPMNQOQULEBNK-CJPQEGFPSA-N
SMILES O[C@@H]1C=C(O)C(=O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing (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 (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 Sources
D-2,3-Diketo 4-deoxy-epi-inositol KEGG COMPOUND
D-2,3-diketo-4-deoxy-epi-inositol UniProt
DKDI KEGG COMPOUND
Manual Xref Database
C06891 KEGG COMPOUND
View more database links
Registry Number Type Source
4987708 Reaxys Registry Number Reaxys
Last Modified
13 February 2015