CHEBI:28676 - α-cellobiose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-cellobiose
ChEBI ID CHEBI:28676
ChEBI ASCII Name alpha-cellobiose
Definition A cellobiose with an α-configuration at the anomeric position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10218, CHEBI:22448
Supplier Information ZINC000003978744
Download Molfile XML SDF
Formula C12H22O11
Net Charge 0
Average Mass 342.29648
Monoisotopic Mass 342.11621
InChI InChI=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
InChIKey GUBGYTABKSRVRQ-MFRLZQSSSA-N
SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via cellobiose )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-cellobiose (CHEBI:28676) is a cellobiose (CHEBI:17057)
Incoming 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 Sources
1-beta-D-Glucopyranosyl-4-alpha-D-glucopyranose KEGG COMPOUND
4-O-β-D-glucopyranosyl-α-D-glucopyranose IUPAC
alpha-Cellobiose KEGG COMPOUND
Manual Xrefs Databases
C06421 KEGG COMPOUND
CBK PDBeChem
G00289 KEGG GLYCAN
View more database links
Registry Numbers Types Sources
1292751 Beilstein Registry Number Beilstein
1292751 Reaxys Registry Number Reaxys
Last Modified
12 May 2020