BMRB

Biological Magnetic Resonance Data Bank


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

Beta-gentiobiose

Beta-gentiobiose bmse000313 - Data

Beta-gentiobiose synonyms

beta-D-glucopyranosyl-(1->6)-D-glucose; beta-Gentiobiose; Amygdalose; 6-O-beta-D-Glucopyranosyl-D-glucose; 6-O-beta-D-glucopyranosyl-D-glucose; Gentiobiose

Wikipedia:

Graphical representations:

beta-gentiobiose

View large 3D structure

Molecular Formula: C12H22O11

Natural Isotopic Abundance Mass: 342.29648

Mono-Isotopic Molecular Masses:

  • C12N14: 342.1162115493
  • C13N14: 354.1564696029
  • C12N15: 342.1162115493
  • C13N15: 354.1564696029

InChI string: InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

PubChem Compound (CID): 5460026
Thomson Pharma: 01470155
ChEBI: CHEBI:28066
ChemSpider: 4573714
DiscoveryGate: 5460026
Sigma-Aldrich: G3000_SIGMA

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)