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

bmst000228 Theoretical Data

Entry STAR file: bmst000228.str
Generated Data for: D-Ribulose 5-phosphate
BMRB Entry DOI: doi:10.13018/BMST000228
PDB file: bmst000228

Displaying

Natural Isotopic formula weight: 230.1098010000

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1P11.111
2C1077.360
3C1174.667
4C1279.269
5C1367.392
6C14223.088
7H154.069
8H163.959
9H172.766
10H180.600
11H193.490
12H204.994
13H215.117
14H225.051
15H234.777
16H245.692
17H2511.548

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