CHEBI:58691 - (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate

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ChEBI Name (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate
ChEBI ID CHEBI:58691
ChEBI ASCII Name (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate
Definition Conjugate base of (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H7O5
Net Charge -1
Average Mass 159.11680
Monoisotopic Mass 159.02935
InChI InChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4,6-9,11H/p-1/t2-,4+,6-/m1/s1
InChIKey YHPMNQOQULEBNK-CJPQEGFPSA-M
SMILES O[C@@H]1C=C([O-])C(=O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate (CHEBI:58691) is a organic anion (CHEBI:25696)
(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)
Incoming (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)
IUPAC Name
(3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate
Registry Number Type Source
5013309 Beilstein Registry Number Beilstein
Last Modified
22 March 2014