BMRB

Biological Magnetic Resonance Data Bank


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

Glycerol ()

bmst000313 Theoretical Data

Entry STAR file: bmst000313.str
Generated Data for: Glycerol
BMRB Entry DOI: doi:10.13018/BMST000313
PDB file: bmst000313

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C170.407
2C565.729
3C664.388
4H75.197
5H82.656
6H90.340
7H10-0.066
8H114.444
9H124.660
10H134.530
11H144.126

Atom numbering calculated using ALATIS. Citation: 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