CHEBI:16885 - 1-kestose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-kestose
ChEBI ID CHEBI:16885
Definition A trisaccharide found in vegetables consisting of β-D-fructofuranose having β-D-fructofuranosyl and α-D-glucopyranosyl residues attached at the 1- and 2-positions respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19202, CHEBI:42141, CHEBI:11371, CHEBI:816
Supplier Information
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Formula C18H32O16
Net Charge 0
Average Mass 504.43710
Monoisotopic Mass 504.16903
InChI InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1
InChIKey VAWYEUIPHLMNNF-OESPXIITSA-N
SMILES OC[C@H]1O[C@H](O[C@]2(CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing 1-kestose (CHEBI:16885) is a trisaccharide (CHEBI:27150)
IUPAC Name
β-D-fructofuranosyl-(2→1)-β-D-fructofuranosyl α-D-glucopyranoside
Synonyms Sources
1-kestotriose MetaCyc
1F-beta-D-Fructosylsucrose KEGG COMPOUND
1F-β-D-fructosylsucrose UniProt
[β-D-Fru-(2→1)]2-α-D-Glup ChEBI
β-D-Fru-(2→1)-β-D-Fru-(2→1)-α-D-Glup ChEBI
beta-D-Fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside KEGG COMPOUND
O-β-D-fructofuranosyl-(2→1)-O-β-D-fructofuranosyl-(2→1)-α-D-glucopyranoside ChEBI
Manual Xrefs Databases
1-KESTOTRIOSE MetaCyc
C03661 KEGG COMPOUND
DQR PDBeChem
G02515 KEGG GLYCAN
HMDB0011729 HMDB
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Registry Numbers Types Sources
470-69-9 CAS Registry Number ChemIDplus
63973 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
1663421 PubMed citation Europe PMC
Last Modified
23 October 2015