CHEBI:28676 - α-cellobiose

ChEBI IDCHEBI:28676
ChEBI Nameα-cellobiose
Stars
ASCII Namealpha-cellobiose
DefinitionA cellobiose with an α-configuration at the anomeric position.
Secondary ChEBI IDsCHEBI:10218, CHEBI:22448
Last Modified12 May 2020
DownloadsMolfile
FormulaC12H22O11
Net Charge0
Average Mass342.297
Monoisotopic Mass342.11621
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5][a2122h-1b_1-5]/1-2/a4-b1
InChIInChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12+/m1/s1
InChIKeyGUBGYTABKSRVRQ-MFRLZQSSSA-N
Roles Classification
Biological Role:
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)
α-cellobiose (CHEBI:28676) is a cellobiose (CHEBI:17057)
Incoming Relation(s)
α-D-Glcp-(1→2)-[β-D-Glcp-(1→4)]-α-D-Glcp (CHEBI:148478) has functional parent α-cellobiose (CHEBI:28676)
β-D-Glcp-(1→4)-α-D-Glcp-(1→4)-D-Glcp (CHEBI:149222) has functional parent α-cellobiose (CHEBI:28676)
IUPAC Name 
β-D-glucopyranosyl-(1→4)-α-D-glucopyranose
Synonyms  Source
alpha-CellobioseKEGG COMPOUND
1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranoseKEGG COMPOUND
4-O-β-D-glucopyranosyl-α-D-glucopyranoseIUPAC
Manual XrefsDatabases
C06421KEGG COMPOUND
G00289KEGG GLYCAN
CBKPDBeChem
Registry NumbersSources
Beilstein:1292751Beilstein
Reaxys:1292751Reaxys