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CHEBI:57864 - (4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate

Default Structure
ChEBI IDCHEBI:57864
ChEBI Name(4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate
Stars
ASCII Name(4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate
DefinitionConjugate base of 5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one arising from selective deprotonation of the 2-hydroxy group; major species at pH 7.3.
Last Modified10 March 2014
DownloadsMolfile
FormulaC7H9O4
Net Charge-1
Average Mass157.145
Monoisotopic Mass157.05063
SMILESO=C1C([O-])=CC[C@@H](CO)[C@@H]1O
InChIInChI=1S/C7H10O4/c8-3-4-1-2-5(9)7(11)6(4)10/h2,4,6,8-10H,1,3H2/p-1/t4-,6-/m0/s1
InChIKeyJJEJEUFVVGEVHG-NJGYIYPDSA-M
ChEBI Ontology
Outgoing Relation(s)
(4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate (CHEBI:57864) is a organic anion (CHEBI:25696)
(4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate (CHEBI:57864) is conjugate base of 5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694)
Incoming Relation(s)
5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694) is conjugate acid of (4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate (CHEBI:57864)
IUPAC Name 
(4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate