L-homoserine (C4 H9 N O3)
bmst000101 Theoretical Data
Entry STAR file: bmst000101.str
Generated Data for: L-homoserine
BMRB Entry DOI: doi:10.13018/BMST000101
PDB file: bmst000101
Displaying
Natural Isotopic formula weight: 119.1191600000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | N1 | 38.160 |
| 2 | C2 | 52.253 |
| 3 | C3 | 179.760 |
| 4 | C4 | 35.762 |
| 5 | C7 | 62.274 |
| 6 | H9 | 2.184 |
| 7 | H10 | 0.700 |
| 8 | H11 | 4.313 |
| 9 | H12 | 2.753 |
| 10 | H13 | 3.434 |
| 11 | H14 | 6.427 |
| 12 | H15 | 4.623 |
| 13 | H16 | 5.325 |
| 14 | H17 | -0.061 |
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