Table 1.
Identification of metabolites in cecal content NMR spectra.
| Metabolites | δ1H (ppm) | |
|---|---|---|
| 1 | Bile acids (mixed) | 0.68* (s), 0.70* (s), 0.73* (s), 0.76* (s) |
| 2 | Valerate | 0.89 (t), 1.30* (m), 1.53 (m) |
| 3 | Butyrate | 0.90* (t), 1.56 (m), 2.16 (t) |
| 4 | Leucine | 0.97* (d) |
| 5 | Valine | 1.00* (d), 1.05 (d), 3.62 (d) |
| 6 | Isoleucine | 1.01* (d) |
| 7 | Propionate | 1.06* (t), 2.19 (q) |
| 8 | 3-methyl-2-oxovalerate | 1.10* (d) |
| 9 | 3-methyl-2-oxobutyrate | 1.13* (d) |
| 10 | Ethanol | 1.19* (t), 3.66 (q) |
| 11 | Threonine | 1.34* (d), 3.60 (d), 4.26 (m) |
| 12 | Alanine | 1.49* (d) |
| 13 | Acetate | 1.92* (s) |
| 14 | Methionine | 2.14* (s) |
| 15 | Glutamate | 2.35* (m) |
| 16 | Succinate | 2.41* (s) |
| 17 | Glutamine | 2.46* (m) |
| 18 | Trimethylamine | 2.88* (s) |
| 19 | Lysine | 3.03* (t) |
| 20 | Choline | 3.21* (s) |
| 21 | Glucose | 3.26 (t), 3.39–3.56 (multiple signals), 3.70–3.75 (multiple signals), 3.81–3.92 (multiple signals), 5.24* (d) |
| 22 | Methanol | 3.36* (s) |
| 23 | 4-hydroxyphenylacetate | 3.45 (s), 6.87* (d), 7.17 (d) |
| 24 | Glycine | 3.57* (s) |
| 25 | Xylose | 5.21* (d) |
| 26 | Galactose | 5.27* (d) |
| 27 | Uracil | 5.81* (d), 7.55 (d) |
| 28 | Tyrosine | 6.91* (d), 7.20 (d) |
| 29 | Phenylacetate | 7.30* (d) |
| 30 | Phenylalanine | 7.34 (d), 7.38 (d), 7.43* (t) |
| 31 | Hypoxanthine | 8.22* (d) |
| 32 | Formate | 8.46* (s) |
The metabolites identified in the NMR spectra of the ceacal content are presented. These numbers are reported in the representative spectra in Supplemental Figure S3. s, singlet; d, doublet; t, triplet; q, quintuplet; m, multiplet; *, peak used for quantification.