Biological Magnetic Resonance Data Bank

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

S-b-G-5,5-G-b-S (A = CH2)

S_b_G_5_5_G_b_S_A_CH2 synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C44H50O16

Natural Isotopic Abundance Mass: 834.8582

Mono-Isotopic Molecular Masses:

  • C12N14: 834.3098855586
  • C13N14: 878.4574984218
  • C12N15: 834.3098855586
  • C13N15: 878.4574984218

InChI string: InChI=1S/C44H50O16/c1-25(45)55-23-31(59-43-35(49-5)13-11-14-36(43)50-6)17-29-19-33(41(57-27(3)47)39(21-29)53-9)34-20-30(22-40(54-10)42(34)58-28(4)48)18-32(24-56-26(2)46)60-44-37(51-7)15-12-16-38(44)52-8/h11-16,19-22,31-32H,17-18,23-24H2,1-10H3/t31-,32-/m0/s1

USDA_NMR_database: 224

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,