BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

D-Cellobiose

D-Cellobiose bmse000138 - Data bmse000889 - Data bmse000939 - Data bmst000174 - Theory

D_cellobiose synonyms

D-(+)-Cellobiose; D-Glucosyl-beta-(1-4)-D-glucose; D-Glucose, 4-O-beta-D-glucopyranosyl-; Cellobiose; 4-(beta-D-Glucosido)-D-glucose; 4-beta-D-Glucopyranosyl-D-glucopyranose; Cellose; 4-O-beta-D-Glucopyranosyl-D-glucose; CELLOBIOSE; 1-beta-D-Glucopyranosyl-4-D-glucopyranose

Wikipedia:

Graphical representations:

D_cellobiose

View large 3D structure

Molecular Formula: C12H22O11

Natural Isotopic Abundance Mass: 342.2964800000

Mono-Isotopic Molecular Masses:

  • C12N14: 342.116211549
  • C13N14: 354.156469603
  • C12N15: 342.116211549
  • C13N15: 354.156469603

InChI string: 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

IUPAC: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol

PubChem Compound (CID): 10712
KEGG Compound ID: C00185
CAS Registry number: 23315-16-4 528-50-7
ChEBI: 17057
EINECS: 208-436-5
PDB Compound ID: CBI

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)