Table 3. List of varying metabolites in the RCC groups, compared to controls, along with % variation (±% uncertainty), effect size (ES), standard error (SE) and p-value.
| Metabolite | δH ppma (multiplicity) | % variation (±ncertainty) (relatively to controls) | ES (±SE) | p-value |
|---|---|---|---|---|
| 1-methylhistidineb | 7.05 (s) | −5.2 (5.9) | −0.20 (0.42) | |
| 2-KGb | 2.45 (t) | 74.3 (6.1) | 2.08 (0.52) | 1.47 × 10−12 |
| 2-Py | 8.33 (s) | 32.3 (12.2) | 0.54 (0.43) | 8.15 × 10−3 |
| 3-methylhistidineb | 8.11 (s) | 4.9 (13.3) | 0.08 (0.42) | |
| 3-HIBAb | 1.36 (s) | 4.7 (5.6) | 0.18 (0.42) | |
| 3-HIVA | 2.37 (s) | 3.0 (5.1) | 0.13 (0.42) | |
| 4-DTA | 1.24 (d) | −19.9 (11.0) | −0.41 (0.43) | |
| 4-hydroxyhippurate | 7.76 (d) | −51.3 (11.3) | −1.17 (0.45) | 2.95 × 10−9 |
| 4-hydroxyphenylacetateb | 6.88 (d) | −13.9 (6.6) | −0.47 (0.32) | 5.09 × 10−3 |
| Acetate | 1.93 (s) | −63.2 (37.2) | −0.45 (0.43) | |
| Acetone | 2.24 (s) | −6.6 (7.7) | −0.21 (0.42) | 1.54 × 10−4 |
| Allantoinc | 5.40 (s) | 6.4 (7.2) | 0.19 (0.42) | |
| Ascorbate | 4.53 (d) | −14.4 (7.0) | −0.47 (0.43) | |
| Bile acid† | 0.54 (s) | 75.5 (13.7) | 0.92 (0.44) | 5.51 × 10−6 |
| Bile acid† | 0.57 (s) | 101.0 (15.2) | 1.04 (0.45) | 1.61 × 10−7 |
| DMA | 2.73 (s) | −8.1 (8.8) | −0.19 (0.42) | |
| Citrated,e | 2.70 (s) | −9.1 (24.0) | 0.19 (0.53) | |
| cis-aconitate | 3.12 (d) | −5.8 (4.0) | −0.31 (0.42) | |
| Creatined | 3.03 (s) | −4.1 (36.9) | −0.03 (0.52) | |
| Creatinined | 4.06 (s) | −0.5 (6.2) | −0.02 (0.52) | |
| Formated | 8.45 (s) | −9.1 (24.0) | −0.11 (0.52) | |
| Fumarateb | 6.53 (s) | 16.7 (15.1) | 0.24 (0.42) | |
| Furoylglycine | 7.68 (d) | 5.8 (3.6) | 0.33 (0.42) | |
| GAAd | 3.81 (s) | −16.7 (9.2) | −0.53 (0.53) | 3.05 × 10−2(*) |
| Galactose | 5.28 (d) | 55.6 (20.7) | 0.50 (0.43) | 9.75 × 10−6 |
| Glutamate | 2.04 (m) | 2.8 (2.5) | 0.25 (0.42) | |
| Glutamine | 2.44 (m) | 8.7 (5.1) | 0.36 (0.42) | |
| Glycine | 3.57 (s) | −21.7 (7.1) | −0.71 (0.43) | 1.68 × 10−3 |
| Hippurate | 7.56 (t) | −42.2 (12.9) | −0.87 (0.44) | 4.60 × 10−6 |
| Hypoxanthinef | 8.20 (s), 8.22 (s) | 23.4 (16.0) | 0.29 (0.42) | 5.64 × 10−3 |
| Indoxyl sulfate | 7.70 (d) | 4.7 (9.5) | 0.11 (0.42) | |
| Isoleucineg | 0.98 (d) | 13.5 (4.9) | 0.56 (0.43) | 4.58 × 10−3 |
| Lactateb | 1.34 (d) | 1.6 (5.8) | 0.06 (0.42) | |
| Malonate | 3.11 (s) | −17.6 (15.0) | −0.27 (0.42) | 4.79 × 10−2(*) |
| PAG | 7.43 (m) | −11.0 (11.9) | −0.22 (0.42) | 2.28 × 10−2(*) |
| Pyruvate | 2.41 (s) | 32.3 (5.5) | 1.15 (0.45) | 5.43 × 10−7 |
| Scyllo inositold | 3.37 (s) | −1.3 (6.7) | −0.05 (0.52) | |
| Succinate | 2.42 (s) | 16.2 (3.4) | 1.00 (0.45) | 3.02 × 10−5 |
| Tartrate | 4.35 (s) | −45.8 (10.8) | −1.10 (0.45) | 1.26 × 10−8 |
| Taurine | 3.43 (t) | −7.5 (7.1) | −0.23 (0.42) | |
| Threonineb | 1.33 (d) | −4.0 (9.4) | −0.10 (0.42) | |
| Trigonellinamideb | 9.28 (s) | −0.3 (14.0) | −0.01 (0.42) | |
| Trigonellinec | 9.13 (s) | −28.8 (16.7) | −0.43 (0.45) | 5.22 × 10−4 |
| TMA | 3.90 (s) | −14.0 (8.2) | −0.36 (0.42) | |
| Valine | 1.05 (d) | 14.4 (4.1) | 0.73 (0.43) | 2.98 × 10−3 |
| Metabolite variations in unassigned compounds, ordered by ppm (ppm, multiplicity) | ||||
| Un 16 | 0.75, d | 10.6 (13.0) | 0.17 (0.42) | |
| Un 17 | 0.78, d | −16.0 (15.5) | −0.23 (0.42) | |
| Un 18 | 0.83, s | 10.2 (7.6) | 0.29 (0.42) | |
| Un 7c | 1.86, s | −5.0 (7.7) | −0.15 (0.42) | 1.27 × 10−2 |
| Un 1c | 1.88, d | −5.8 (3.5) | −0.36 (0.42) | |
| Un 20 | 1.96, s | −8.1 (6.6) | −0.25 (0.42) | |
| Un 5 | 2.05, s | 14.4 (3.4) | 0.85 (0.44) | 4.77 × 10−6 |
| Un 1f | 2.07, s | 11.8 (3.0) | 0.80 (0.44) | 4.00 × 10−5 |
| Un 21d | 2.17, d | −3.0 (26.9) | −0.03 (0.52) | |
| Un 22 | 2.38, s | −18.6 (7.2) | −0.55 (0.43) | 1.45 × 10−3 |
| Un 23d | 2.39, s | 9.1 (4.8) | 0.49 (0.53) | |
| Un 24 | 2.50, s | 13.5 (3.5) | 0.80 (0.44) | 3.29 × 10−4 |
| Un 25 | 2.76, s | 32.8 (4.1) | 1.61 (0.48) | 5.99 × 10−11 |
| Un 9c | 2.78, s | 11.3 (6.8) | 0.34 (0.42) | 4.56 × 10−2(*) |
| Un 26d | 4.29, m | 10.3 (4.4) | 0.60 (0.54) | 3.19 × 10−2 |
| Un 10c | 5.35, s | 22.9 (9.7) | 0.49 (0.43) | |
| Un 6g | 6.19, s | 69.5 (13.2) | 0.91 (0.44) | 1.31 × 10−6 |
| Un 27 | 6.49, d | 157.7 (30.6) | 0.73 (0.43) | 2.52 × 10−2(*) |
| Un 12 | 8.66, d | 6.7 (10.1) | 0.15 (0.42) | |
| Un 28 | 8.68, s | 13.9 (16.6) | 0.18 (0.42) | |
| Un 29 | 8.70, d | −142.1 (371.2) | −0.25 (0.42) | |
| Un 13 | 8.79, d | 77.8 (28.5) | 0.48 (0.43) | |
| Un 14d,c | 9.05, s | −33.8 (29.9) | −0.36 (0.53) | 3.67 × 10−2(*) |
| Unassigned spectral regions | ||||
| 0.87–0.84 | −1.7 (5.8) | −0.06 (0.42) | ||
| 6.40–6.36f | 16.1 (12.7) | 0.27 (0.42) | ||
| 6.43–6.41g | −14.1 (9.6) | −0.34 (0.42) | 1.25 × 10−2 | |
| 6.46–6.44 | 26.4 (9.8) | 0.53 (0.43) | ||
| 8.31–8.24d | −1.2 (12.4) | −0.03 (0.52) | ||
aChemical shifts of integrated peaks; s: singlet, d: doublet, t: triplet; m: multiplet.
bVariation only detected in the unmatched cohort but unrelated to age, gender, smoking habits or BMI.
cMay have contribution from different smoking habits.
dVariation only detected in the age- and gender-matched model.
eMay have contribution from BMI.
fMay have contribution from higher mean age of controls.
gMay have contribution from higher proportion of females in controls. 2-KG: 2-ketoglutarate; 2-Py: N-methyl-2-pyridone-5-carboxamide; DMA: dimethylamine; PAG: phenylacetylglutamine. Un i: unassigned compound i, numbering follows that indicated in Table 2. Only p-values < 0.05 are indicated.
(*)not statistically relevant after BH-FDR correction (45).
†Tentative assignment.