Alpha-D-Galactose 1-phosphate (C6 H13 O9 P)
bmst000295 Theoretical Data
Entry STAR file: bmst000295.str
Generated Data for: alpha-D-Galactose 1-phosphate
BMRB Entry DOI: doi:10.13018/BMST000295
PDB file: bmst000295
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Natural Isotopic formula weight: 260.1357810000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | C1 | 97.274 |
| 2 | C2 | 73.005 |
| 3 | C3 | 73.462 |
| 4 | C4 | 65.031 |
| 5 | C5 | 81.578 |
| 6 | C6 | 58.008 |
| 7 | P13 | 2.182 |
| 8 | H17 | 6.662 |
| 9 | H18 | 4.311 |
| 10 | H19 | 5.180 |
| 11 | H20 | 5.244 |
| 12 | H21 | 5.407 |
| 13 | H22 | 5.018 |
| 14 | H23 | 5.584 |
| 15 | H24 | 2.610 |
| 16 | H25 | 0.368 |
| 17 | H26 | 0.412 |
| 18 | H27 | -0.120 |
| 19 | H28 | 3.509 |
| 20 | H29 | 3.973 |
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