D-Ribulose 5-phosphate (C5 H11 O8 P)
bmst000228 Theoretical Data
Entry STAR file: bmst000228.str
Generated Data for: D-Ribulose 5-phosphate
BMRB Entry DOI: doi:10.13018/BMST000228
PDB file: bmst000228
Displaying
Natural Isotopic formula weight: 230.1098010000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | P1 | 1.111 |
| 2 | C10 | 77.360 |
| 3 | C11 | 74.667 |
| 4 | C12 | 79.269 |
| 5 | C13 | 67.392 |
| 6 | C14 | 223.088 |
| 7 | H15 | 4.069 |
| 8 | H16 | 3.959 |
| 9 | H17 | 2.766 |
| 10 | H18 | 0.600 |
| 11 | H19 | 3.490 |
| 12 | H20 | 4.994 |
| 13 | H21 | 5.117 |
| 14 | H22 | 5.051 |
| 15 | H23 | 4.777 |
| 16 | H24 | 5.692 |
| 17 | H25 | 11.548 |
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