Inosine 5'-monophosphate (C10 H13 N4 O8 P)

bmst000245 Theoretical Data

Entry STAR file: bmst000245.str
Generated Data for: Inosine 5'-monophosphate
BMRB Entry DOI: doi:10.13018/BMST000245
PDB file: bmst000245

Displaying

Natural Isotopic formula weight: 348.2059810000

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C1144.679
2C2134.633
3C370.885
4C4133.813
5C5140.369
6C6169.581
7C791.092
8C877.818
9C983.101
10C1097.891
11N11127.855
12N12307.438
13N13294.260
14N14160.934
15P230.495
16H249.274
17H258.304
18H265.251
19H274.878
20H285.293
21H294.891
22H304.309
23H317.199
24H329.331
25H331.023
26H341.117
27H354.426
28H364.150

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