Table 2.
1H-NMR assignments for sedoheptulose, sedoheptulose 7-phosphate, threonic acid, and erythronic acid.
| Metabolite | Pos | Multiplicity* | Chemical shift (ppm)
|
|
|---|---|---|---|---|
| pH 2.50 | pH 7.00 | |||
Sedoheptulose (β-furanose)
|
1 | AB | 3.55 | 3.58 |
| 3 | D | 4.08 | 4.09 | |
| 4 | DD | 4.29 | 4.31 | |
| 5 | M | 3.75 | 3.77 | |
| 6, 7 | Several | 3.85–3.80 | 3.8 | |
Sedoheptulose 7-phosphate (β-furanose)
|
1 | AB | 3.56 | 3.54 [15] |
| 3 | D | 4.08 | 4.06 [15] | |
| 4 | DD | 4.32 | 4.33 [15] | |
| 5 | M | 3.81 | 3.78 [15] | |
| 6,7 | Several | 3.92 | 3.93 [15] | |
Threonic acid
|
2 | D | 4.33 | 4.10 |
| 3 | M | 4.07 | 3.98 | |
| 4 | M | 3.68 | 3.66 | |
Erythronic acid
|
2 | D | 4.32 | 4.10 |
| 3 | M | 3.99 | 3.96 | |
| 4 | M | 3.69 | 3.66 | |
Pos, carbon position in the molecule.
*
D, doublet; M, multiplet; AB, AB system; DD, doublet–doublet.