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. 2014 Mar 18;9(3):e92031. doi: 10.1371/journal.pone.0092031

Table 3. 1H NMR of urine metabolites.

Metabolite number Name of metabolite δ (ppm) Athlete Fold Change (±SD) Control Fold Change (±SD) p-value
M1 2-Hydroxybutyrate 0.90 1.28±0.23 1.48±0.65 0.44
M2 2-Hydroxyisovalerate 3.85 1.12±0.39 1.44±0.12 0.046*
M3 α-Ketoglutarate 2.45 0.98±0.29 1.03±0.41 0.78
M4 2-Oxoisocaproate 0.94 1.19±0.12 1.24±0.12 0.40
M5 2-Oxoisovalerate 1.12 1.28±0.39 1.31±0.59 0.94
M6 3-Hydroxybutyrate 1.20 0.82±0.21 0.77±0.19 0.64
M7 3-Hydroxyisobutyrate 1.07, 3.68 1.33±0.24 1.38±0.35 0.78
M8 3-Methyl-2-oxovalerate 1.10, 2.94 1.11±0.19 1.15±0.35 0.82
M9 Acetoacetate 2.24 0.91±0.12 1.05±0.26 0.23
M10 Alanine 1.49 1.16±0.29 1.12±0.39 0.83
M11 Citrate 2.55 0.63±0.15 0.66±0.19 0.70
M12 Creatinine 3.05 1.03±0.21 1.14±0.22 0.34
M13 Glycine 3.57 0.84±0.09 0.93±0.04 0.019*
M14 Formate 8.46 0.96±0.05 0.84±0.14 0.043*
M15 Lactate 1.33 4.34±1.21 7.16±6.61 0.10
M16 Malonate 3.11 1.13±0.35 1.78±0.41 0.004*
M17 Phenylalanine 3.98, 7.36 0.91±0.09 0.95±0.11 0.49
M18 Pyruvate 2.35 1.70±0.22 1.68±0.43 0.92
M19 Succinate 2.53 0.89±0.12 0.81±0.19 0.12
M20 Hippurate 7.56 0.91±0.56 0.96±0.63 0.86
M21 Trimethylamine N-oxide 3.25 0.88±0.22 0.83±0.31 0.70
M22 Acetate 1.93 1.32±0.14 4.21±0.12 0.0001*
M23 Hypoxanthine 8.19 4.34±1.12 2.91±0.98 0.016*
M24 Tryptophan 4.06, 7.32 0.83±0.05 0.94±0.08 0.004*
M25 Inosine 4.28, 6.10 1.39±0.71 1.29±0.84 0.81
M26 Glucuronate 3.73 - - -
M27 3-Hydroxyisovalerate 1.26 - - -
M28 Valine 0.99, 3.60 0.98±0.07 1.01±0.12 0.55
M29 Fumarate 6.51 2.16±0.45 1.53±0.39 0.009*
M30 Malate 4.29 - - -
M31 Histidine 7.09 - - -
M32 Leucine 0.95, 1.70 - - -
1

H NMR identified urine metabolites and relative changes in concentration reported as fold change for athlete and control groups after exercise.

‡Signal not used for concentration calculation.

†Peak areas were unreported due to peak overlap.

♮Metabolite not detected.

*Significant difference between gr°ups.

♭Histidine concentrations were not calculated due to dynamic nature of His resonances.