Entry STAR file: bmst000196.str
Generated Data for: L-Tartaric acid
BMRB Entry DOI: doi:10.13018/BMST000196
PDB file: bmst000196
Natural Isotopic formula weight: 150.0868400000
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