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
Download Molfile XML SDF
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 Numbers Types Sources
4987708 Reaxys Registry Number Reaxys
4987708 Beilstein Registry Number Beilstein
Last Modified
13 February 2015