BMRB

Biological Magnetic Resonance Data Bank


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

Orotate ()

bmst000278 Theoretical Data

Entry STAR file: bmst000278.str
Generated Data for: Orotate
BMRB Entry DOI: doi:10.13018/BMST000278
PDB file: bmst000278

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1N5165.177
2N6127.760
3C7163.276
4C8146.162
5C9160.229
6C10142.448
7C11109.367
8H127.233
9H137.354
10H146.132
11H157.542

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