EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:142685 - 3-deoxy-keto-D-fructose

ChEBI IDCHEBI:142685
ChEBI Name3-deoxy-keto-D-fructose
Stars
ASCII Name3-deoxy-keto-D-fructose
DefinitionA deoxyketohexose that is keto-D-fructose that is lacking the hydroxy group at position 3. A metabolite of 3-deoxyglucosone, a dicarbonyl sugar synthesised through the Maillard reaction.
Last Modified2 December 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC6H12O5
Net Charge0
Average Mass164.157
Monoisotopic Mass164.06847
SMILESO=C(CO)C[C@H](O)[C@H](O)CO
WURCSWURCS=2.0/1,1,0/[hOd22h]/1/
InChIInChI=1S/C6H12O5/c7-2-4(9)1-5(10)6(11)3-8/h5-8,10-11H,1-3H2/t5-,6+/m0/s1
InChIKeyOXFWZSUJNURRMW-NTSWFWBYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-deoxy-keto-D-fructose (CHEBI:142685) is a deoxyketohexose (CHEBI:24965)
3-deoxy-keto-D-fructose (CHEBI:142685) is a hexanone (CHEBI:24573)
3-deoxy-keto-D-fructose (CHEBI:142685) is a α-hydroxy ketone (CHEBI:139588)
3-deoxy-keto-D-fructose (CHEBI:142685) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Names 
3-deoxy-D-erythro-hex-2-ulose
(4S,5R)-1,4,5,6-tetrahydroxyhexan-2-one
Synonyms  Source
3-deoxy-D-erythro-2-hexuloseSUBMITTER
(4S,5R)-1,4,5,6-tetrahydroxyhexan-2-oneChEBI
3-deoxy-D-erythro-hexuloseChemIDplus
3-deoxyhexuloseChemIDplus
UniProt Name  Source
3-deoxyfructoseUniProt
Manual XrefsDatabases
US2002111291Patent
HMDB0005876HMDB
Registry NumbersSources
CAS:6196-57-2ChemIDplus
Citations