D-Ribose 5-phosphate (C5 H11 O8 P)

bmst000180 Theoretical Data

Entry STAR file: bmst000180.str
Generated Data for: D-Ribose 5-phosphate
BMRB Entry DOI: doi:10.13018/BMST000180
PDB file: bmst000180

Displaying

Natural Isotopic formula weight: 230.1098010000

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1P1-0.214
2C674.184
3C787.520
4C876.269
5C1081.466
6C12110.653
7H154.023
8H163.641
9H175.547
10H184.927
11H195.273
12H205.019
13H214.734
14H222.520
15H235.978
16H240.940
17H251.133

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