TABLE 3.
Identified metabolites in feces and urine with statistically significant differences between AN and RA participants1
| Compound name | Chemical shift in ppm (multiplicity) | P value | Q value |
|---|---|---|---|
| Significantly more abundant in AN than in RA fecal samples | |||
| Choline | 3.20 (s) | 5.44 × 10−3 | 1.61 × 10−2 |
| Formate | 8.46 (s) | 7.05 × 10−4 | 3.26 × 10−3 |
| Significantly more abundant in RA than in AN fecal samples | |||
| Valerate | 0.89 (t) 1.30 (m) 1.53 (m) 2.17 (t) | 4.71 × 10−8 | 1.42 × 10−6 |
| Butyrate | 0.90 (t) 1.56 (tq) 2.16 (t) | 1.18 × 10−5 | 1.25 × 10−4 |
| Propionate | 1.06 (t) 2.19 (q) | 2.71 × 10−8 | 9.26 × 10−7 |
| Acetate | 1.92 (s) | 9.98 × 10−5 | 6.95 × 10−4 |
| Glutamate | 2.36 (m) | 2.14 × 10−4 | 1.27 × 10−3 |
| Glycine | 3.57 (s) | 3.56 × 10−3 | 1.16 × 10−2 |
| Uracil | 5.81 (d) 7.54 (d) | 6.95 × 10−10 | 6.41 × 10−8 |
| Tyrosine | 6.91 (d) 7.20 (d) | 1.11 × 10−3 | 4.66 × 10−3 |
| Phenylalanine | 7.31 (d) 7.38 (m) | 1.33 × 10−12 | 1.44 × 10−9 |
| Nicotinate | 7.53 (dd) 8.61 (dd) 8.94 (d) 8.26 (dt) | 5.30 × 10−6 | 6.68 × 10−5 |
| Xanthine | 7.91 (s) | 2.69 × 10−10 | 3.27 × 10−8 |
| Hypoxanthine | 8.21 (d) | 3.15 × 10−10 | 3.62 × 10−8 |
| Significantly more abundant in AN than in RA urinary samples | |||
| Unknown bile acids | 0.75 (s) 0.76 (s) | 9.60 × 10−4 | 5.51 × 10−3 |
| Creatine | 3.04 (s) 3.94 (s) | 5.00 × 10−4 | 3.43 × 10−3 |
| N-methyl-2-pyridone-carboxamide | 3.65 (d) 6.67 (d) 7.83 (dd) 8.34 (d) | 1.01 × 10−7 | 4.85 × 10−6 |
| 2-furoylglycine | 3.93 (s) 7.71 (d) 7.19 (dd) 6.65 (dd) | 2.26 × 10−8 | 1.52 × 10−6 |
| N-methylpyridinium | 4.40 (s) 8.79 (d) 8.55 (td) 8.05 (td) | 5.54 × 10−13 | 3.60 × 10−9 |
| N-methylnicotinamide | 4.48 (s) 8.19 (t) 8.90 (d) 8.97 (d) 9.28 (s) | 1.09 × 10−5 | 1.90 × 10−4 |
| Significantly more abundant in RA than in AN urinary samples | |||
| Fatty acids (C5–C10) | 0.84 (d) 1.3 (s) 1.56 (m) | 4.21 × 10−6 | 9.46 × 10−5 |
| 3-hydroxyisovalerate | 1.27 (s) 2.37 (s) | 7.63 × 10−5 | 8.37 × 10−4 |
| 2-hydroxyisobutyrate | 1.36 (s) | 3.98 × 10−4 | 2.87 × 10−3 |
| Alanine | 1.48 (d) | 1.71 × 10−6 | 4.81 × 10−5 |
| Acetate | 1.92 (s) | 9.81 × 10−6 | 1.76 × 10−4 |
| Phenylacetylglutamine | 1.93 (m) 2.13 (m) 2.27 (t) 3.68 (q) 4.19 (dd) 7.36 (t) 7.43 (t) | 2.31 × 10−6 | 5.95 × 10−5 |
| Dimethylamine | 2.72 (s) | 2.00 × 10−8 | 1.38 × 10−6 |
| N-acetyl-S-methyl-cysteine sulfoxide | 2.78 (s) | 3.22 × 10−9 | 3.39 × 10−7 |
| S-methyl-cysteine sulfoxide metabolite | 2.80 (s) | 2.92 × 10−4 | 2.28 × 10−3 |
| S-methyl-cysteine sulfoxide | 2.83 (s) | 3.72 × 10−6 | 8.56 × 10−5 |
| Dimethylglycine | 2.93 (s) | 2.63 × 10−5 | 3.70 × 10−4 |
| Lysine | 3.02 (t) | 1.17 × 10−7 | 5.51 × 10−6 |
| Creatinine | 3.05 (s) 4.06 (s) | 3.48 × 10−6 | 8.10 × 10−5 |
1
AN, Alaska Native; d, doublet; dd, doublet of doublets; dt, doublet of triplets; m, multiplet; q, quartet; Q value,P value adjusted for false discovery rate (FDR); RA, rural African; s, singlet; t, triplet; td, triplet of doublets; tq, triplet of quartets.