Entry STAR file: bmst000197.str
Generated Data for: N,N-Dimethylglycine
BMRB Entry DOI: doi:10.13018/BMST000197
PDB file: bmst000197
Natural Isotopic formula weight: 103.1197600000
Shift ID | Atom ID | Value |
---|---|---|
1 | C3 | 176.573 |
2 | C4 | 61.261 |
3 | N5 | 31.316 |
4 | C6 | 46.925 |
5 | C7 | 42.574 |
6 | H8 | 6.256 |
7 | H9 | 4.095 |
8 | H10 | 3.148 |
9 | H11 | 3.384 |
10 | H12 | 3.608 |
11 | H13 | 2.865 |
12 | H14 | 3.349 |
13 | H15 | 2.264 |
14 | H16 | 4.319 |
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