EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:4249 - D-tagatopyranose

Default Structure
ChEBI IDCHEBI:4249
ChEBI NameD-tagatopyranose
Stars
ASCII NameD-tagatopyranose
DefinitionThe pyranose form of D-tagatose.
Last Modified23 October 2017
DownloadsMolfile
FormulaC6H12O6
Net Charge0
Average Mass180.156
Monoisotopic Mass180.06339
SMILESOCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/1,1,0/[ha112h-2x_2-6]/1/
InChIInChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m1/s1
InChIKeyLKDRXBCSQODPBY-OEXCPVAWSA-N
Roles Classification
Biological Roles:
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
D-tagatopyranose (CHEBI:4249) is a D-tagatose (CHEBI:16443)
Incoming Relation(s)
D-tagatopyranose 1-phosphate (CHEBI:138801) has functional parent D-tagatopyranose (CHEBI:4249)
α-D-tagatopyranose (CHEBI:49091) is a D-tagatopyranose (CHEBI:4249)
β-D-tagatopyranose (CHEBI:49092) is a D-tagatopyranose (CHEBI:4249)
IUPAC Name 
D-tagatopyranose
Synonyms  Source
D-TagatoseKEGG COMPOUND
lyxo-HexuloseKEGG COMPOUND
Manual XrefsDatabases
C00795KEGG COMPOUND
Registry NumbersSources
Beilstein:5730129Beilstein
CAS:87-81-0KEGG COMPOUND