2'-Deoxyguanosine (C10 H13 N5 O4)
bmst000002 Theoretical Data
Entry STAR file: bmst000002.str
Generated Data for: 2'-Deoxyguanosine
BMRB Entry DOI: doi:10.13018/BMST000002
PDB file: bmst000002
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Natural Isotopic formula weight: 267.2413200000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | N5 | 76.129 |
| 2 | N6 | 163.488 |
| 3 | N7 | 107.722 |
| 4 | N8 | 246.294 |
| 5 | N9 | 292.531 |
| 6 | C10 | 63.794 |
| 7 | C11 | 91.787 |
| 8 | C12 | 87.844 |
| 9 | C13 | 74.836 |
| 10 | C14 | 40.717 |
| 11 | C15 | 145.585 |
| 12 | C16 | 135.173 |
| 13 | C17 | 161.870 |
| 14 | C18 | 124.911 |
| 15 | C19 | 128.031 |
| 16 | H20 | 1.004 |
| 17 | H21 | 0.483 |
| 18 | H22 | 3.474 |
| 19 | H23 | 4.249 |
| 20 | H24 | 9.526 |
| 21 | H25 | 4.754 |
| 22 | H26 | 4.756 |
| 23 | H27 | 7.575 |
| 24 | H28 | 5.247 |
| 25 | H29 | 4.890 |
| 26 | H30 | 3.618 |
| 27 | H31 | 2.815 |
| 28 | H32 | 8.085 |
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