Biological Magnetic Resonance Data Bank

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

Sodium Glycochenodeoxycholate

Sodium Glycochenodeoxycholate synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C26H42NNaO5

Natural Isotopic Abundance Mass: 471.60515

Mono-Isotopic Molecular Masses:

  • C12N14: 471.296067730001
  • C13N14: 497.383293518001
  • C12N15: 472.293102623001
  • C13N15: 498.380328411001

InChI string: InChI=1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20-,21-,24+,25-,26-;/m1./s1

MMCD: cq_17507
PubChem Compound (CID): 23696298

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,