BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

N-Acetyl-D-glucosamine 6-phosphate ()

bmst000200 Theoretical Data

Entry STAR file: bmst000200.str
Generated Data for: N-Acetyl-D-glucosamine 6-phosphate
BMRB Entry DOI: doi:10.13018/BMST000200
PDB file: bmst000200

Displaying

Natural Isotopic formula weight:

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C123.267
2C2182.167
3N4128.812
4C557.193
5C679.081
6C776.019
7C885.150
8C1099.953
9C1266.812
10P141.125
11H203.377
12H213.331
13H222.633
14H235.835
15H245.164
16H254.189
17H264.374
18H275.026
19H286.152
20H292.056
21H305.432
22H314.653
23H323.419
24H333.662
25H340.264
26H355.503

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