Alpha-D-Galactose 1-phosphate (C6 H13 O9 P)

bmst000295 Theoretical Data

Entry STAR file: bmst000295.str
Generated Data for: alpha-D-Galactose 1-phosphate
BMRB Entry DOI: doi:10.13018/BMST000295
PDB file: bmst000295

Displaying

Natural Isotopic formula weight: 260.1357810000

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C197.274
2C273.005
3C373.462
4C465.031
5C581.578
6C658.008
7P132.182
8H176.662
9H184.311
10H195.180
11H205.244
12H215.407
13H225.018
14H235.584
15H242.610
16H250.368
17H260.412
18H27-0.120
19H283.509
20H293.973

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