DL-Serine (C3 H7 N O3)

bmst000169 Theoretical Data

Entry STAR file: bmst000169.str
Generated Data for: DL-Serine
BMRB Entry DOI: doi:10.13018/BMST000169
PDB file: bmst000169

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Natural Isotopic formula weight: 105.0925800000

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C158.755
2C2184.336
3C368.633
4N431.153
5H84.896
6H95.208
7H104.977
8H111.909
9H121.256
10H136.428
11H140.249

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