L-glutamic Acid (C5 H9 N O4)
bmst000263 Theoretical Data
Entry STAR file: bmst000263.str
Generated Data for: L-glutamic acid
BMRB Entry DOI: doi:10.13018/BMST000263
PDB file: bmst000263
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Natural Isotopic formula weight: 147.1292600000
Theoretically calculated chemical shifts
| Shift ID | Atom ID | Value |
|---|---|---|
| 1 | C1 | 182.446 |
| 2 | C2 | 176.998 |
| 3 | C4 | 53.182 |
| 4 | C6 | 29.851 |
| 5 | C7 | 31.838 |
| 6 | N9 | 32.936 |
| 7 | H11 | 4.098 |
| 8 | H12 | 3.102 |
| 9 | H13 | 3.024 |
| 10 | H14 | 2.976 |
| 11 | H15 | 4.859 |
| 12 | H16 | 6.456 |
| 13 | H17 | 1.313 |
| 14 | H18 | 1.691 |
| 15 | H19 | 6.275 |
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