Entry STAR file: bmst000198.str
Generated Data for: N-acetyl-D-glucosamine
BMRB Entry DOI: doi:10.13018/BMST000198
PDB file: bmst000198
Natural Isotopic formula weight: 221.2078000000
Shift ID | Atom ID | Value |
---|---|---|
1 | C1 | 104.367 |
2 | C2 | 65.395 |
3 | C3 | 75.289 |
4 | C4 | 74.752 |
5 | C5 | 82.792 |
6 | C6 | 68.389 |
7 | C7 | 176.795 |
8 | C8 | 25.009 |
9 | N9 | 129.906 |
10 | H16 | 5.361 |
11 | H17 | 3.660 |
12 | H18 | 4.205 |
13 | H19 | 4.183 |
14 | H20 | 4.449 |
15 | H21 | 4.896 |
16 | H22 | 5.234 |
17 | H23 | 3.373 |
18 | H24 | 3.434 |
19 | H25 | 2.558 |
20 | H26 | 6.209 |
21 | H27 | 2.242 |
22 | H28 | 6.889 |
23 | H29 | 2.715 |
24 | H30 | -0.147 |
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