BMRB

Biological Magnetic Resonance Data Bank


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

Alpha-ketoglutaric Acid ()

bmst000298 Theoretical Data

Entry STAR file: bmst000298.str
Generated Data for: alpha-ketoglutaric acid
BMRB Entry DOI: doi:10.13018/BMST000298
PDB file: bmst000298

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C1160.491
2C2201.739
3C3175.655
4C739.270
5C827.226
6H114.468
7H124.599
8H133.958
9H143.212
10H157.071
11H166.407

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