DL-Serine (C3 H7 N O3)
bmst000169 Theoretical Data
Entry STAR file: bmst000169.str
Generated Data for: DL-Serine
BMRB Entry DOI: doi:10.13018/BMST000169
PDB file: bmst000169
Displaying
Natural Isotopic formula weight: 105.0925800000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | C1 | 58.755 |
| 2 | C2 | 184.336 |
| 3 | C3 | 68.633 |
| 4 | N4 | 31.153 |
| 5 | H8 | 4.896 |
| 6 | H9 | 5.208 |
| 7 | H10 | 4.977 |
| 8 | H11 | 1.909 |
| 9 | H12 | 1.256 |
| 10 | H13 | 6.428 |
| 11 | H14 | 0.249 |
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