DL-alpha-Glycerol Phosphate (C3 H9 O6 P)
bmst000167 Theoretical Data
Entry STAR file: bmst000167.str
Generated Data for: DL-alpha-Glycerol phosphate
BMRB Entry DOI: doi:10.13018/BMST000167
PDB file: bmst000167
Displaying
Natural Isotopic formula weight: 172.0737210000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | P1 | -0.856 |
| 2 | C4 | 74.149 |
| 3 | C7 | 74.944 |
| 4 | C10 | 68.226 |
| 5 | H11 | 5.009 |
| 6 | H12 | 4.756 |
| 7 | H13 | 3.683 |
| 8 | H14 | 3.493 |
| 9 | H15 | 5.314 |
| 10 | H16 | 2.094 |
| 11 | H17 | 0.043 |
| 12 | H18 | 4.507 |
| 13 | H19 | 4.739 |
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