CHEBI:47693 - keto-D-tagatose

ChEBI IDCHEBI:47693
ChEBI Nameketo-D-tagatose
Stars
ASCII Nameketo-D-tagatose
DefinitionThe straight-chain keto form of D-tagatose.
Last Modified6 April 2017
DownloadsMolfile
FormulaC6H12O6
Net Charge0
Average Mass180.156
Monoisotopic Mass180.06339
SMILESO=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO
WURCSWURCS=2.0/1,1,0/[hO112h]/1/
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1
InChIKeyBJHIKXHVCXFQLS-PQLUHFTBSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
food component  A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.
ChEBI Ontology
Outgoing Relation(s)
keto-D-tagatose (CHEBI:47693) is a D-tagatose (CHEBI:16443)
keto-D-tagatose (CHEBI:47693) is enantiomer of keto-L-tagatose (CHEBI:134275)
Incoming Relation(s)
keto-D-tagatose 1,6-bisphosphate (CHEBI:49093) has functional parent keto-D-tagatose (CHEBI:47693)
keto-D-tagatose 6-phosphate (CHEBI:47947) has functional parent keto-D-tagatose (CHEBI:47693)
keto-L-tagatose (CHEBI:134275) is enantiomer of keto-D-tagatose (CHEBI:47693)
IUPAC Names 
keto-D-tagatose
(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
Synonym  Source
D-tagatosePDBeChem
UniProt Name  Source
keto-D-tagatoseUniProt
Manual XrefsDatabases
TAGPDBeChem
Registry NumbersSources
Reaxys:1724555Reaxys
CAS:87-81-0ChemIDplus