L-Tartaric Acid (C4 H6 O6)
bmst000196 Theoretical Data
Entry STAR file: bmst000196.str
Generated Data for: L-Tartaric acid
BMRB Entry DOI: doi:10.13018/BMST000196
PDB file: bmst000196
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Natural Isotopic formula weight: 150.0868400000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | C1 | 79.217 |
| 2 | C2 | 79.217 |
| 3 | C3 | 192.281 |
| 4 | C4 | 192.281 |
| 5 | H11 | 5.551 |
| 6 | H12 | 5.551 |
| 7 | H13 | 4.397 |
| 8 | H14 | 4.397 |
| 9 | H15 | 7.144 |
| 10 | H16 | 7.144 |
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