DAMP (C10 H14 N5 O6 P)

bmst000235 Theoretical Data

Entry STAR file: bmst000235.str
Generated Data for: dAMP
BMRB Entry DOI: doi:10.13018/BMST000235
PDB file: bmst000235

Displaying

Natural Isotopic formula weight: 331.2218210000

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1P11.487
2N885.074
3N9175.429
4N10264.022
5N11258.362
6N12244.510
7C1369.277
8C1495.864
9C1596.027
10C1679.775
11C1737.329
12C18160.699
13C19156.330
14C20127.199
15C21147.796
16C22160.948
17H233.659
18H243.782
19H250.427
20H265.425
21H276.202
22H284.867
23H296.545
24H307.396
25H315.155
26H325.160
27H333.292
28H345.140
29H358.690
30H3610.069

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