Uridine (C9 H12 N2 O6)
bmst000236 Theoretical Data
Entry STAR file: bmst000236.str
Generated Data for: Uridine
BMRB Entry DOI: doi:10.13018/BMST000236
PDB file: bmst000236
Displaying
Natural Isotopic formula weight: 244.2013800000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | H1 | 6.826 |
| 2 | H2 | 8.222 |
| 3 | H3 | 4.368 |
| 4 | H4 | 5.767 |
| 5 | H5 | 4.963 |
| 6 | H6 | 5.794 |
| 7 | H7 | 4.791 |
| 8 | H8 | 4.485 |
| 9 | H9 | 7.364 |
| 10 | H10 | 0.862 |
| 11 | H11 | 2.839 |
| 12 | H12 | 2.776 |
| 13 | C13 | 109.221 |
| 14 | C14 | 151.590 |
| 15 | C15 | 166.584 |
| 16 | C16 | 157.648 |
| 17 | C17 | 78.244 |
| 18 | C18 | 77.412 |
| 19 | C19 | 91.495 |
| 20 | C20 | 108.445 |
| 21 | C21 | 64.172 |
| 22 | N22 | 168.738 |
| 23 | N23 | 150.211 |
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