Guanosine (C10 H13 N5 O5)
bmst000087 Theoretical Data
Entry STAR file: bmst000087.str
Generated Data for: guanosine
BMRB Entry DOI: doi:10.13018/BMST000087
PDB file: bmst000087
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Natural Isotopic formula weight: 283.2407200000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | N6 | 71.503 |
| 2 | N7 | 164.906 |
| 3 | N8 | 114.019 |
| 4 | N9 | 254.832 |
| 5 | N10 | 296.844 |
| 6 | C11 | 63.387 |
| 7 | C12 | 94.524 |
| 8 | C13 | 86.758 |
| 9 | C14 | 81.833 |
| 10 | C15 | 75.474 |
| 11 | C16 | 145.433 |
| 12 | C17 | 135.165 |
| 13 | C18 | 161.656 |
| 14 | C19 | 125.436 |
| 15 | C20 | 125.611 |
| 16 | H21 | 1.729 |
| 17 | H22 | 1.280 |
| 18 | H23 | 0.720 |
| 19 | H24 | 3.557 |
| 20 | H25 | 3.934 |
| 21 | H26 | 10.633 |
| 22 | H27 | 4.896 |
| 23 | H28 | 4.448 |
| 24 | H29 | 7.360 |
| 25 | H30 | 5.346 |
| 26 | H31 | 4.358 |
| 27 | H32 | 4.897 |
| 28 | H33 | 8.131 |
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