D-Ribose 5-phosphate (C5 H11 O8 P)
bmst000180 Theoretical Data
Entry STAR file: bmst000180.str
Generated Data for: D-Ribose 5-phosphate
BMRB Entry DOI: doi:10.13018/BMST000180
PDB file: bmst000180
Displaying
Natural Isotopic formula weight: 230.1098010000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | P1 | -0.214 |
| 2 | C6 | 74.184 |
| 3 | C7 | 87.520 |
| 4 | C8 | 76.269 |
| 5 | C10 | 81.466 |
| 6 | C12 | 110.653 |
| 7 | H15 | 4.023 |
| 8 | H16 | 3.641 |
| 9 | H17 | 5.547 |
| 10 | H18 | 4.927 |
| 11 | H19 | 5.273 |
| 12 | H20 | 5.019 |
| 13 | H21 | 4.734 |
| 14 | H22 | 2.520 |
| 15 | H23 | 5.978 |
| 16 | H24 | 0.940 |
| 17 | H25 | 1.133 |
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