Biological Magnetic Resonance Data Bank

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

Glycodesoxycholic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C26H43NO5

Natural Isotopic Abundance Mass: 449.62332

Mono-Isotopic Molecular Masses:

  • C12N14: 449.314123496
  • C13N14: 475.4013492788
  • C12N15: 450.3111583892
  • C13N15: 476.398384172

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

PubChem Compound (CID): 3035026_3
MMCD: cq_10721
CAS Registry number: 360-65-6
ChEBI: CHEBI:27471
ZINC: ZINC08837267
MDL: MFCD0050922

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,