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CHEBI:16694 - 5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

ChEBI IDCHEBI:16694
ChEBI Name5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
Stars
ASCII Name5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
DefinitionA cyclic ketone comprising cyclohexen-2-one having hydroxy groups at the 2- and 6-positions and a hydroxymethyl group at the 5-position.
Secondary ChEBI IDsCHEBI:2046, CHEBI:12098, CHEBI:20532
Last Modified6 February 2018
DownloadsMolfile
FormulaC7H10O4
Net Charge0
Average Mass158.153
Monoisotopic Mass158.05791
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/t4-,6-/m0/s1
InChIKeyJJEJEUFVVGEVHG-NJGYIYPDSA-N
ChEBI Ontology
Outgoing Relation(s)
5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694) has functional parent cyclohex-2-enone (CHEBI:15977)
5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694) is a cyclic ketone (CHEBI:3992)
5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (CHEBI:16694) is a secondary α-hydroxy ketone (CHEBI:2468)
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)
Incoming Relation(s)
(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)
IUPAC Names 
5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
(5S,6S)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
Synonyms  Source
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-oneKEGG COMPOUND
5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-oneKEGG COMPOUND
UniProt Name  Source
5D-(5/6)-5-C-(hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-oneUniProt
Manual XrefsDatabases
C04815KEGG COMPOUND